bluuebunny/crossref_metadata_2025 huggingface dataset:
Assisted Self‐Assembly to Target Heterometallic Mn‐Nd and Mn‐Sm SMMs: Synthesis and Magnetic Characterisation of [Mn7Ln3(O)4(OH)4(mdea)3(piv)9(NO3)3] (Ln=Nd, Sm, Eu, Gd)**
Authors: Kaemmerer Hagen , Mereacre Valeriu , Ako Ayuk M. , Mameri Samir , Anson Christopher E. , Clérac Rodolphe , Powell Annie K.
Published: September 2021

In an assisted self‐assembly approach starting from the [Mn6O2(piv)10(4‐Me‐py)2(pivH)2] cluster a family of Mn−Ln compounds (Ln=Pr−Yb) was synthesised. The reaction of [Mn6O2(piv)10(4‐Me‐py)2(pivH)2] (1) with N‐methyldiethanolamine (mdeaH2) and Ln(NO3)3 ⋅ 6H2O in MeCN generally yields two main structure types: for Ln=Tb−Yb a previously reported Mn5Ln4 motif is obtained, whereas for Ln=Pr−Eu a series of Mn7Ln3 clusters is obtained. Within this series the GdIII analogue represents a special case because it shows both structural types as well as a third Mn2Ln2 inverse butterfly motif. Variation in reaction conditions allows access to different structure types across the whole series. This prompts further studies into the reaction mechanism of this cluster assisted self‐assembly approach. For the Mn7Ln3 analogues reported here variable‐temperature magnetic susceptibility measurements suggest that antiferromagnetic interactions between the spin carriers are dominant. Compounds incorporating Ln=NdIII(2), SmIII(3) and GdIII (5) display SMM behaviour. The slow relaxation of the magnetisation for these compounds was confirmed by ac measurements above 1.8 K.
A Comprehensive Picture of the Structures, Energies, and Bonding in the Alanine Dimers
Authors: David Jorge , Gómez Sara , Guerra Doris , Guerra Dario , Restrepo Albeiro
Published: September 2021

High level quantum mechanical computations and extensive stochastic searches of the potential energy surfaces of the Alanine dimers uncover rich and complex structural and interaction landscapes. A total of 416 strongly bound (up 13.4 kcal mol−1binding energies at the DLPNO‐CCSD(T)/6–311++G(d,p) level corrected by the basis set superposition error and by the zero point vibrational energies over B3LYP‐D3 geometries), close energy equilibrium structures were located, bonded via 32 specific types of intermolecular contacts including Y⋅⋅⋅H−X primary and Y⋅⋅⋅H−C secondary hydrogen bonds, H⋅⋅⋅H dihydrogen contacts, and non conventional anti‐electrostatic YXinteractions. The putative global minimum is triply degenerate, corresponding to the structure of the common dimer of a carboxylic acid. All quantum descriptors of chemical bonding point to a multitude of weak individual interactions within each dimer, whose cumulative effect results in large binding energies and in an attractive fluxional wall of non‐covalent interactions in the interstitial region between the monomers.
Direct Conversion of Polypropylene into Liquid Hydrocarbons on Carbon‐Supported Platinum Catalysts
Authors: Jaydev Shibashish D. , Martín Antonio J. , Pérez‐Ramírez Javier
Published: September 2021

Efforts to selectively convert polypropylene (≈30 % of all plastic waste) have not been particularly successful. Typical distributions span from gas to solid products, highlighting a challenging cleavage control. Here, carbon‐supported platinum nanoparticles were designed for complete hydrocracking into liquid hydrocarbons (C5–C45). The metal and carrier phases operated synergistically. The cleavage activity depended on platinum and its rate rose with decreasing particle size. The carbon carrier controlled selectivity via hydrocarbon binding strength, which depended on the chain length and on the surface oxygen concentration. An optimal binding provided by carbons with high oxygen content promoted both adsorption of long chains and desorption of short products. This strategy achieved an unprecedented 80 % selectivity toward motor oil (C21–C45). Carbons exhibiting too strong binding (low oxygen content) hindered product desorption, while non‐binding materials (e. g., silica or alumina) did not promote plastic–Pt contact, leading in both cases to low performance. This work pioneers design guidelines in a key process towards a sustainable plastic economy.
Homo‐ and Copolymerization of Norbornene with Allyl Palladium and Nickel Complexes Bearing Imidazo[1,5‐a]pyridine Sulfonate Ligands
Authors: Dong Jie , Yang Dandan , Wang Baiquan
Published: September 2021

A series of allyl palladium and nickel complexes based on imidazo[1,5‐a]pyridine sulfonate ligands were synthesized. All these complexes were fully characterized by 1H and 13C NMR, elemental analysis, and high‐resolution mass spectrometry (HRMS). By treatment with Me2AlCl, palladium complexes showed high activities (up to 4.5×107 g of PNB (mol of Pd)−1 h−1) in norbornene polymerization, and the steric hindrance of the catalysts had little effect on the catalytic activities. They could also catalyze the copolymerization of norbornene with butyl vinyl ether (BVE) and ester monomers, but could not catalyze the copolymerization of norbornene with allyl butyl ether (ABE). In addition, the catalytic activities of nickel complexes for norbornene polymerization were similar to that of palladium complexes upon activation with MAO. They could catalyze copolymerization of norbornene with BVE and ABE, but not with ester monomers. In nickel system, the lower steric hindrance of the substituent led to higher activity.
Highly Graphitic N‐Doped Biomass‐Derived Hard Carbon with a Low Operating Potential for Potassium‐Ion Batteries
Authors: Deng Wen-jie , He Xiao-dong , Zhang Li-ming , Wang Jun-ru , Chen Chun-hua
Published: September 2021

Hard carbon is considered to be the most promising anode material for potassium‐ion batteries (PIBs) because of its high storage capability and inexpensive cost, but most of them have a high operating potential. Herein, a highly graphitic nitrogen‐doped hard carbon (NHC) is prepared by soaking a corn stalk in urea solution and calcination. NHC can deliver a reversible capacity of 402 mAh g−1 in the first charge–discharge cycle and 87% of the total capacity is measured below 1 V versus K+/K. Simultaneously, it can retain a capacity of 263 mAh g−1 after 100 cycles at 200 mA g−1. Even at 1 A g−1, it can still provide a capacity of 176 mAh g−1 after 260 cycles. These superior electrochemical performances are attributed to the doping of graphitic nitrogen. Noticeably, such a biomass‐derived NHC is not only environment friendly but also easy to prepare, which makes it a competitive anode material candidate for PIBs.
Dietary fiber intake is inversely related to serum heavy metal concentrations among US adults consuming recommended amounts of seafood: NHANES 2013–2014
Authors: Guo Jiayue , Knol Linda L. , Yang Xin , Kong Lingyan
Published: September 2021

Heavy metals such as mercury (Hg), cadmium (Cd), and lead (Pb) have profound deleterious effects on human health, with seafood being the primary dietary source. Dietary fiber (DF) has been reported to bind heavy metals in animal models, thus promoting their excretion. However, little is known about such effect in human subjects. To examine the relationship between DF intake and blood heavy metal concentrations in adults consuming adequate amounts of seafood, a sample of adults (n = 422), with a mean age of 48 years (SE = 1.14), who consumed at least eight servings of seafood per month were selected from the National Health and Nutrition Examination Survey (NHANES, 2013–2014). Average intake of DF was computed from two 24‐h recalls. Linear regression analyses were completed to assess the relationship between each of the three heavy metals and DF intake while adjusting for age, biological sex, race/ethnicity, and ratio of family income to poverty. Results showed that after adjusting for covariates, serum Cd and Pb levels were inversely related to DF intake among US adults meeting the recommendations for seafood consumption. Every 10 additional grams of DF intake is associated with 6.72% less serum Cd (p = 0.0010) and 5.65% less serum Pb (p = 0.0019) concentrations, respectively. Asian adults had significantly higher serum levels of Hg, Cd, and Pb (p < 0.0005) as compared to non‐Hispanic White adults. Age was positively related to serum heavy metal levels (p < 0.0001). Future research is warranted to investigate the mechanism of action.
Active and passive control of nanoparticles in ferromagnetic Jeffrey fluid flow
Authors: Revanna Lalitha Kora , Veeranna Yarranna , Thimmappa Sreenivasa Giriyajjara , Ashok Reddy Deshmukh
Published: September 2021

The rheology of non‐Newtonian liquids has fascinated several researchers due to their wide‐ranging applications in manufacturing and engineering sectors like plastic processing, the mining industry, and lubrication. Also, the features of ferromagnetic non‐Newtonian fluids make it supportive for extensive usage in loudspeakers, magnetic resonance imaging, computer hard drives, directing of magnetic drugs, and magnetic hyperthermia. Owing to such potential applications, the current study is concerned with the heat and mass transfer analysis in a ferromagnetic Jeffrey liquid flow over a stretching sheet. In the flow problem, Brownian moment, magnetic dipole, and thermophoresis features are used. The active and passive control of nanomaterials is also considered in the modeling. Using appropriate similarity transformations, the modeling equations are converted to ordinary differential equations, then these equations are solved using the Runge–Kutta process and the shooting approach. The numerical and graphical solutions for the thermal profile, concentration profile, skin friction, rate of heat, and mass transfer characteristics are obtained. The significant results of the current study are that the thermal profile is strongly stimulated and increases faster for active control case than passive control case for augmented values of thermophoresis parameter. The heat transfer is strongly stimulated and decreases faster for passive control case than active control case for growing values of Deborah number. The mass transfer rate decreases faster for the active control case for increasing values of Schmidt number.
Regulation of innate immune signaling pathways by autophagy in dengue virus infection
Authors: Wan Shu‐Wen , Lee Ying‐Ray , Ho Tzong‐Shiann , Chang Chih‐Peng
Published: September 2021

Autophagy is not only an intracellular recycling degradation system that maintains cellular homeostasis but is also a component of innate immunity that contributes to host defense against viral infection. The viral components as well as viral particles trapped in autophagosomes can be delivered to lysosomes for degradation. Abundant evidence indicates that dengue virus (DENV) has evolved the potent ability to hijack or subvert autophagy process for escaping host immunity and promoting viral replication. Moreover, autophagy is often required to deliver viral components to pattern recognition receptors signaling for interferon (IFN)‐mediated viral elimination. Hence, this review summarizes DENV‐induced autophagy, which exhibits dual effects on proviral activity of promoting replication and antiviral activity to eliminating viral particles.
Characteristics of brain connectivity during verbal fluency test: Convolutional neural network for functional near‐infrared spectroscopy analysis
Authors: Wang Le‐Mei , Huang Yi‐Hua , Chou Po‐Han , Wang Yi‐Min , Chen Chung‐Ming , Sun Chia‐Wei
Published: September 2021

Human connectome describes the complicated connection matrix of nervous system among human brain. It also possesses high potential of assisting doctors to monitor the brain injuries and recoveries in patients. In order to unravel the enigma of neuron connections and functions, previous research has strived to dig out the relations between neurons and brain regions. Verbal fluency test (VFT) is a general neuropsychological test, which has been used in functional connectivity investigations. In this study, we employed convolutional neural network (CNN) on a brain hemoglobin concentration changes (ΔHB) map obtained during VFT to investigate the connections of activated brain areas and different mental status. Our results show that feature of functional connectivity can be identified accurately with the employment of CNN on ΔHB mapping, which is beneficial to improve the understanding of brain functional connections.
Optimization for continuous‐wave terahertz reflection imaging for biological tissues
Authors: Wu Limin , Wang Yuye , Li Haibin , Wang Zelong , Ge Meilan , Xu Degang , Yao Jianquan
Published: September 2021

Continuous‐wave terahertz reflection imaging is a potential tool for biological tissues. Based on our home‐made continuous‐wave terahertz reflection imaging system, the effect of both polarization mode and reflection window on the imaging performance is studied theoretically and experimentally, showing good agreement. By taking obtaining sample information and image contrast into consideration, p‐polarized terahertz waves are recommended. Moreover, considering the sample boundary identification and the image contrast, selection criteria for reflection window are proposed. This work will help to improve the performance of continuous‐wave terahertz reflection imaging and accelerate the THz imaging in biological application.
Fracture Fixation Technique and Chewing Side Impact Jaw Mechanics in Mandible Fracture Repair
Authors: Mehari Abraha Hyab , Iriarte‐Diaz José , Reid Russell R , Ross Callum F , Panagiotopoulou Olga
Published: September 2021

Lower jaw (mandible) fractures significantly impact patient health and well‐being due to pain and difficulty eating, but the best technique for repairing the most common subtype—angle fractures—and rehabilitating mastication is unknown. Our study is the first to use realistic in silico simulation of chewing to quantify the effects of Champy and biplanar techniques of angle fracture fixation. We show that more rigid, biplanar fixation results in lower strain magnitudes in the miniplates, the bone around the screws, and in the fracture zone, and that the mandibular strain regime approximates the unfractured condition. Importantly, the strain regime in the fracture zone is affected by chewing laterality, suggesting that both fixation type and the patient's post‐fixation masticatory pattern—ipsi‐ or contralateral to the fracture— impact the bone healing environment. Our study calls for further investigation of the impact of fixation technique on chewing behavior. Research that combines in vivo and in silico approaches can link jaw mechanics to bone healing and yield more definitive recommendations for fixation, hardware, and postoperative rehabilitation to improve outcomes. © 2021 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Entrustable professional activities framework for assessment of patient handoffs in dentistry
Authors: Ramaswamy Vidya , Munz Stephanie M. , Nalliah Romesh , Fitzgerald Mark , Dragan Irina F. , Karimbux Nadeem , Shin Katherine , Danciu Theodora E.
Published: September 2021

Purpose/Objectives

The aim of this study is to report data on the lack of a proper patient handoff system in dentistry and dental education and to present a possible solution to integrate this into curriculum using the “entrustable professional activities” (EPAs) framework.

Methods

Delphi participants from seven US dental schools provided feedback on a preliminary definition of handoff, a mnemonic and an assessment rubric. 2019 American Dental Education Association Commission on Change and Innovation in Dental Education (ADEA CCI) participants further evaluated the handoff EPA using the EQual rubric for EPA quality and structure.

Results

Delphi participants identified points of transition in dentistry, selected the D‐PASS as a mnemonic, and agreed with the evaluation rubric. The ADEA CCI participants agreed the handoff EPA describes work that is essential for the profession and suitable for entrustment.

Conclusion

The D‐PASS rubric is an effective way to assess patient handoffs.
Extracellular vesicles from pancreatic ductal adenocarcinoma endoscopic ultrasound‐fine needle aspiration samples contain a protein barcode
Authors: Inoue Hiroyuki , Eguchi Akiko , Kobayashi Yoshinao , Usugi Eri , Yamada Reiko , Tsuboi Junya , Akuta Teruo , Horiki Noriyuki , Iwasa Motoh , Takei Yoshiyuki
Published: September 2021

Background

The survival rate of pancreatic ductal adenocarcinoma (PDAC) is very poor because early detection is difficult. Extracellular vesicles (EVs) are released from cells associating with the cellular condition and circulated in the blood. We aimed to identify EV proteins from endoscopic ultrasound‐fine needle aspiration (EUS‐FNA) biopsy samples in order to develop novel biomarkers for PDAC.

Methods

Extracellular vesicles were isolated from EUS‐FNA samples of 40 PDAC patients and six autoimmune pancreatitis (AIP) patients to be used as a control. EV proteins were identified using nanoLC‐MS/MS.

Results

Intact EVs approximately 200 nm in diameter were detected from EUS‐FNA samples. We identified 2059 or 1032 EV proteins in PDAC or AIP, respectively, and 1071 EV proteins were detected only in PDAC. One hundred and fifty‐three EV proteins were significantly different between PDAC and AIP: 64 proteins were down‐regulated in PDAC whereas 89 EV proteins were up‐regulated in PDAC including mucins, keratins, Ras‐related proteins, and olfactomedin‐4, which proteins have been reported to be elevated in PDAC tissue/blood, or cultured pancreatic cancer cell lines. Notably, in the 89 up‐regulated PDAC EV proteins we identified novel proteins including ADP‐ribosylation factor 3, CD55, pyruvate kinase, and lipopolysaccharide‐induced tumor necrosis factor. Out of 89 proteins, a total of 13 proteins including Ras‐related proteins were significantly elevated in PDAC stages II‐IV compared to PDAC stage I, including Ras‐related proteins, moesin, and CD55.

Conclusions

The EV proteins obtained from EUS‐FNA samples contain a PDAC‐specific protein barcode. The EV proteins identified from EUS‐FNA samples include promising biomarkers for the diagnosis and clinical staging of PDAC.
Cellular and molecular modulation of rotator cuff muscle pathophysiology
Authors: Fu Chengcheng , Huang Alice H. , Galatz Leesa M. , Han Woojin M.
Published: September 2021

Rotator cuff (RC) tendon tears are common shoulder injuries that result in irreversible and persistent degeneration of the associated muscles, which is characterized by severe inflammation, atrophy, fibrosis, and fatty infiltration. Although RC muscle degeneration strongly dictates the overall clinical outcomes, strategies to stimulate RC muscle regeneration have largely been overlooked to date. In this review, we highlight the current understanding of the cellular processes that coordinate muscle regeneration, and the roles of muscle resident cells, including immune cells, fibroadipogenic progenitors, and muscle satellite cells in the pathophysiologic regulation of RC muscles following injury. This review also provides perspectives for potential therapies to alleviate the hallmarks of RC muscle degeneration to address current limitations in postsurgical recovery.
Local and regional constraints on relative sea‐level changes in southern Isle of Skye, Scotland, since the Last Glacial Maximum
Authors: Best Louise , Simms Alexander R. , Brader Martin , Lloyd Jerry , Sefton Juliet , Shennan Ian
Published: September 2021

New relative sea‐level (RSL) data constrain the timing and magnitude of RSL changes in the southern Isle of Skye following the Last Glacial Maximum (LGM). We identify a marine limit at ~23 m OD, indicating RSL ~20 m above present c. 15.1 ka. Isolation basin data, supported by terrestrial and marine limiting dates, record an RSL fall to 11.59 m above present by c. 14.2 ka. This RSL fall occurs across the time of global Meltwater Pulse 1A, supporting recent research on the sources of ice melting. Our new data also help to resolve some of the chronological issues within the existing Isle of Skye RSL record and provide details of the sub‐Arctic marine environment associated with the transition into Devensian Lateglacial climate at c. 14.5 k cal a bp, and the timing of changes in response to the Loch Lomond Stadial climate. Glacio‐isostatic adjustment (GIA) model predictions of RSL deviate from the RSL constraints and reflect uncertainties in local and global ice models used within the GIA models. An empirical RSL curve provides a target for future research.
Trends in Adjuvant Therapy After Surgery for Oropharyngeal Squamous Cell Carcinoma
Authors: Philips Ramez , Sagheer Hamad , Barsouk Adam , Swendseid Brian , Johnson Jennifer , Bar Ad Voichita , Luginbuhl Adam , Curry Joseph , Cognetti David
Published: September 2021

Objectives/Hypothesis

We aim to 1) evaluate trends in adjuvant treatment of human papilloma virus (HPV)‐related oropharyngeal cancer; 2) assess change in complications and functional outcomes over time; and 3) assess change in overall and disease‐free survival (DFS) over time.

Study Design

Retrospective analysis.

Methods

Charts of patients who underwent transoral robotic surgery for HPV‐related oropharyngeal cancer between 2011 and 2019 were reviewed. Trend analysis was used to compare rate of adjuvant treatment over time. The Kaplan–Meier method was conducted to analyze overall survival (OS) and DFS.

Results

Three hundred and forty‐two patients met inclusion criteria. One hundred and sixty‐three (47.7%) patients underwent adjuvant radiation, and 90 (26.3%) patients underwent adjuvant chemoradiation. Rate of extranodular extension decreased significantly from 38.9% to 24.0% (P = .004). Rate of adjuvant therapy decreased significantly from 90.9% to 62.5% between 2011 and 2019 (P = .001). In patients who received adjuvant treatment, rate of adjuvant chemoradiation therapy decreased significantly from 40.0% to 20.0% (P < .0005). There was a decrease in rate of 1‐year gastrostomy tube dependence in patients treated in 2015 to 2019 versus 2011 to 2014 (2.2% vs. 7.1%, P = .025). In 2011 to 2014, 2‐year OS and DFS were 96% and 89%, respectively; in 2015 to 2019, 2‐year OS and DFS were 96% and 94%, respectively. There was no difference in OS or DFS between the two time periods.

Conclusions

The rate of adjuvant therapy, particularly chemotherapy, has decreased over time. One‐year gastrostomy tube dependence rate has decreased significantly from 2011 to 2014 to 2015 to 2019. There was no change in OS and DFS over this time period.

Level of Evidence

3 Laryngoscope, 132:806–812, 2022
3D Printed Tooling for Injection Molded Microfluidics
Authors: Convery Neil , Samardzhieva Iliyana , Stormonth‐Darling John Moir , Harrison Sean , Sullivan Gareth J. , Gadegaard Nikolaj
Published: September 2021

Microfluidics have been used for several decades to conduct a wide range of research in chemistry and the life sciences. The reduced dimensions of these devices give them advantages over classical analysis techniques such as increased sensitivity, shorter analysis times, and lower reagent consumption. However, current manufacturing processes for microfluidic chips either limit them to materials with unwanted properties, or are not cost‐effective for rapid‐prototyping approaches. Here the authors show that inlays for injection moulding can be 3D printed, thus reducing the skills, cost, and time required for tool fabrication. They demonstrate the importance of orientation of the part during 3D printing so that features as small as 100 × 200 µm can be printed. They also demonstrate that the 3D printed inlay is durable enough to fabricate at least 500 parts. Furthermore, devices can be designed, manufactured, and tested within one working day. Finally, as demonstrators they design and mould a microfluidic chip to house a plasmonic biosensor as well as a device to house liver organoids showing how such chips can be used in organ‐on‐a‐chip applications. This new fabrication technique bridges the gap between small production and industrial scale manufacturing, while making microfluidics cheaper, and more widely accessible.
Asymptotic behavior of a random oscillating nonlinear reactive transport in thin turbulent layers
Authors: El Jarroudi Mustapha , Lahrouz Aadil , Settati Adel
Published: September 2021

We consider a nonlinear reactive transport of a scalar field in a domain composed of a bounded region lined by turbulent thin layers. We suppose that these layers display a cellular microstructure with thin varying thickness. We suppose that, within the layers, the diffusion, reaction, and velocity coefficients admit random large‐scale structures. Under mixing properties of the diffusion, reaction, and velocity processes, we study the asymptotic behavior of the problem with respect to a vanishing parameter describing the thickness of the layers. We derive the effective flux boundary condition on the surface of the fixed region which coincides with the lower surface of the layers. This flux boundary condition consists in a generalized nonlinear Robin condition involving some nonlocal random effects which emerge asymptotically due to the random fluctuations of the reactive transport parameters in the layers.
Absolute choline tissue concentration mapping for prostate cancer localization and characterization using 3D 1H MRSI without water‐signal suppression
Authors: Tayari Nassim , Wright Alan J. , Heerschap Arend
Published: September 2021

Purpose

Until now, 1H MRSI of the prostate has been performed with suppression of the large water signal to avoid distortions of metabolite signals. However, this signal can be used for absolute quantification and spectral corrections. We investigated the feasibility of water‐unsuppressed MRSI in patients with prostate cancer for water signal–mediated spectral quality improvement and determination of absolute tissue levels of choline.

Methods

Eight prostate cancer patients scheduled for radical prostatectomy underwent multi‐parametric MRI at 3 T, including 3D water‐unsuppressed semi‐LASER MRSI. A postprocessing algorithm was developed to remove the water signal and its artifacts and use the extracted water signal as intravoxel reference for phase and frequency correction of metabolite signals and for absolute metabolite quantification.

Results

Water‐unsuppressed MRSI with dedicated postprocessing produced water signal and artifact‐free MR spectra throughout the prostate. In all patients, the absolute choline tissue concentration was significantly higher in tumorous than in benign tissue areas (mean ± SD: 7.2 ± 1.4 vs 3.8 ± 0.7 mM), facilitating tumor localization by choline mapping. Tumor tissue levels of choline correlated better with the commonly used (choline + spermine + creatine)/citrate ratio (r = 0.78 ± 0.1) than that of citrate (r = 0.21 ± 0.06). The highest maximum choline concentrations occurred in high‐risk cancer foci.

Conclusion

This report presents the first successful water‐unsuppressed MRSI of the whole prostate. The water signal enabled amelioration of spectral quality and absolute metabolite quantification. In this way, choline tissue levels were identified as tumor biomarker. Choline mapping may serve as a tool in prostate cancer localization and risk scoring in multi‐parametric MRI for diagnosis and biopsy procedures.
Quantification of balanced SSFP myocardial perfusion imaging at 1.5 T: Impact of the reference image
Authors: McElroy Sarah , Kunze Karl P. , Milidonis Xenios , Huang Li , Nazir Muhummad Sohaib , Evans Carl , Bosio Filippo , Mughal Nabila , Masci Pier Giorgio , Neji Radhouene , Razavi Reza , Chiribiri Amedeo , Roujol Sébastien
Published: September 2021

Purpose

To investigate the use of a high flip‐angle (HFA) balanced SSFP (bSSFP) reference image (in comparison to conventional proton density [PD]–weighted reference images) for conversion of bSSFP myocardial perfusion images into dynamic T1 maps for improved myocardial blood flow (MBF) quantification at 1.5 T.

Methods

The HFA‐bSSFP (flip angle [FA] = 50°), PD gradient‐echo (PD‐GRE; FA = 5°), and PD‐bSSFP (FA = 8°) reference images were acquired before a dual‐sequence bSSFP perfusion acquisition. Simulations were used to study accuracy and precision of T1 and MBF quantification using the three techniques. The accuracy and precision of T1, and the precision and intersegment variability of MBF were compared among the three techniques in 8 patients under rest conditions.

Results

In simulations, HFA‐bSSFP demonstrated improved T1/MBF precision (higher T1/MBF SD of 30%‐80%/50%‐100% and 30%‐90%/60%‐115% for PD‐GRE and PD‐bSSFP, respectively). Proton density–GRE and PD‐bSSFP were more sensitive to effective FA than HFA‐bSSFP (maximum T1/MBF errors of 13%/43%, 20%/43%, and 1%/3%, respectively). Sensitivity of all techniques (defined as T1/MBF errors) to native T1, native T2, and effective saturation efficiency were negligible (<1%/<1%), moderate (<14%/<19%), and high (<63%/<94%), respectively. In vivo, no difference in T1 accuracy was observed among HFA‐bSSFP, PD‐GRE, and PD‐bSSFP (−9 ± 44 ms vs −28 ± 55 ms vs −22 ± 71 ms, respectively; p > .08). The HFA‐bSSFP led to improved T1/MBF precision (T1/MBF SD: 41 ± 19 ms/0.24 ± 0.08 mL/g/min vs PD‐GRE: 48 ± 20 ms/0.29 ± 0.09 mL/g/min and PD‐bSSFP: 59 ± 23 ms/0.33 ± 0.11 mL/g/min; p ≤ .02) and lower MBF intersegment variability (0.14 ± 0.09 mL/g/min vs PD‐GRE: 0.21 ± 0.09 mL/g/min and PD‐bSSFP: 0.20 ± 0.10 mL/g/min; p ≤ .046).

Conclusion

We have demonstrated the feasibility of using a HFA‐bSSFP reference image for MBF quantification of bSSFP perfusion imaging at 1.5 T. Results from simulations demonstrate that the HFA‐bSSFP reference image results in improved precision and reduced sensitivity to effective FA compared with conventional techniques using a PD reference image. Preliminary in vivo data acquired at rest also demonstrate improved precision and intersegment variability using the HFA‐bSSFP technique compared with PD techniques; however, a clinical study in patients with coronary artery disease under stress conditions is required to determine the clinical significance of this finding.
Antimicrobial stewardship program in pediatric medicine
Authors: Probst Varvara , Islamovic Florinda , Mirza Ayesha
Published: September 2021

The rising threats from antimicrobial resistance due to inappropriate utilization of antimicrobial agents in health care including the pediatric population has been a topic of concern at the global level for the last several decades. The antimicrobial stewardship program (ASP) is a multidisciplinary institutional initiative focusing primarily on the improvement of antimicrobial prescribing practices and limiting inappropriate use. ASPs play an important role in the implementation of healthcare strategies in pediatrics worldwide to reduce antimicrobial resistance. Many published reports demonstrate how adapted ASPs in pediatrics result in improvement of unnecessary antimicrobial utilization, decreasing drug resistance and treatment failure, minimization of adverse clinical outcomes, decreasing healthcare costs and hospital length of stay, and optimization of diagnostic strategies. However, some barriers in pediatric ASP still exist. This narrative review describes core elements of ASP, the impact of implemented ASPs on pediatric healthcare, and challenges of pediatric ASP as seen by the authors.
Promotion of 11/9‐helical folding in α/β‐peptides containing β2‐homoalanine residue
Authors: Yoon Hyerim , Lee Jaeyeon , Kang Philjae , Choi Soo Hyuk
Published: September 2021

The 11/9‐helix is one of nontraditional helices available to α/β‐peptides with alternating residue types. Several β‐amino acid residues are known to promote 11/9‐helical folding with two types of intramolecular hydrogen bonds. Both β2‐amino acids and β3‐amino acids are common acyclic β‐amino acids that can be regarded as homologs of α‐amino acids with the same side chain group. However, β2‐amimo acids have not been widely used as much as β3‐amino acids partly because β2‐residue is believed to be not as strong as β3‐residue in promoting a distinct conformation. Here we report 11/9‐helical folding of α/β‐peptides that consist of L‐α‐alanine and (S)‐β2‐homoalanine with residue alternation. In addition, circular dichroism study reveals that β2‐homoalanine promotes 11/9‐helical folding more strongly than β3‐homoalanine in polar protic solvent conditions.
Laryngeal sensation and its association with aspiration and cough in children with neurological impairment
Authors: Freitag Nadine , Tews Pia , Hübl Nicole , Krug Katrin , Kristin Julia , Distelmaier Felix , Schramm Dirk
Published: September 2021

Background

Aspirations are frequent in children with neurological impairment. They significantly increase the risk for acute and chronic respiratory insufficiencies leading to high morbidity and mortality. Laryngeal sensation deficits have been linked to aspirations in adults and are a suspected cause for dysphagia in children. In a similar neurological circuit as swallowing, laryngeal receptors trigger coughing as a protective airway reflex. The aim of this study was to examine the association between impaired laryngeal sensation (ILS), aspiration, and coughing in neurologically impaired children.

Design and Methods

In a retrospective study, 110 children with suspected dysphagia underwent a clinical evaluation of swallowing and a flexible endoscopic evaluation of swallowing (FEES) between 2013 and 2019 in the children's university clinic Düsseldorf were analyzed. Laryngeal sensation was tested by the endoscopic touch method. Associations were computed using χ2‐test.

Results

Fifty‐four patients (49.1%) had a neurological impairment, 56 patients (50.9%) had no or other comorbidities and served as a control cohort. Children with neurological impairment suffered from ILS significantly more often than children with no or other comorbidities (χ²(1) = 4.63, p = .031). ILS was associated with all other FEES variables but did not correlate with coughing. The symptom coughing correlated with aspiration in the group of neurologically impaired children and in children ILS.

Conclusion

ILS is a potential cause of aspirations in children with neurological impairment. Physicians need to pay special attention to the occurrence of coughing in children with neurological impairment and/or ILS since it signals aspirations that took place.
Semi‐parametric accelerated failure‐time model: A useful alternative to the proportional‐hazards model in cancer clinical trials
Authors: Burzykowski Tomasz
Published: September 2021

The accelerated failure‐time (AFT) model has been long recognized as a useful alternative to the proportional‐hazards (PH) model. Semi‐parametric AFT model has been known since 1981. Its use has been hampered by the difficulty in solving the estimating equations for the model's coefficients. In recent years, however, important developments have taken place regarding the methods of solving the equations. In this article, we briefly review the developments, focusing mainly on rank‐based estimation. We conduct a simulation study that directly focuses on the applicability of the model in the context of (cancer) clinical trials. We also investigate the robustness of the AFT model to the omission of covariates. Finally, we conduct a meta‐analysis of multiple clinical trials in gastric cancer to illustrate the benefits of the use of the model in practice.
Biochar restructures plant–soil–microbe relationships in a woody cropping system
Authors: Nash Jake A. , Miesel Jessica R. , Bonito Gregory M. , Sakalidis Monique L. , Ren Han , Warnock Daniel , Tiemann Lisa K.
Published: September 2021

Biochars are porous charcoal‐like materials that can enhance soil health and plant growth, but their use has not been adequately evaluated in woody cropping systems. To fill this knowledge gap, we investigated the effects of two slow pyrolysis pine biochars on plant performance, soil physicochemical properties, extracellular enzyme activities, and root‐associated fungal community composition in an experimental Christmas tree plantation over 3 yr. Both biochars stimulated the activities of five extracellular enzyme activities between 67 and 446%, but appeared to reduce N availability. Structural equation modelling identified increased soil moisture as a potential mechanism of biochar's effects on all measured enzyme activities, whereas increased dissolved organic C was a possible mechanism of biochar's effect on N and P targeting enzymes. This finding suggests that biochar‐induced increases to dissolved organic C have a specific effect on nutrient targeting enzymes. Biochar was found to negatively impact tree growth and survival, but impacts varied between tree species and biochar type. High‐throughput sequencing showed that biochar decreased the diversity of root‐associated fungal communities, with the ectendomycorrhizal speciesWilcoxina mikolaebecoming hyper‐dominant on balsam fir in response to one of the biochars. Changes to root‐associated fungal communities may have been partially responsible for negative effects on conifer performance. Although our study identified negative effects of biochar on plant performance and fungal diversity, we also found widespread changes to soil chemistry and microbial function that might be leveraged in systems with more acidic soils or different crops to increase plant performance.
Size‐Controlled Facile Synthesis of Silver Nanoparticles by Chemical Reduction Method and Analysis of Their Antibacterial Performance
Authors: Halder Sanjoy , Ahmed Aninda N. , Gafur Md. A. , Seong Gimyeong , Hossain Muhammad Z.
Published: September 2021

This article aimed at the size‐controlled one‐pot facile synthesis of silver nanoparticles (AgNPs) by chemical reduction method and their antibacterial response against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) bacteria. AgNPs coated with and without trisodium citrate (TSC) were synthesized using silver nitrate as a precursor and hydrazine as a reducing agent. Spherical AgNPs (average size 35 nm) formation, capping agents attachment, and product purity was confirmed by ultraviolet‐visible (UV–vis) spectroscopy, X‐ray diffraction (XRD), field emission scanning microscopy (FESEM), transmission electron microscopy (TEM), Fourier transform infrared (FTIR), the thermogravimetric analysis (TGA), and energy‐dispersive X‐ray (EDX) spectroscopy. Exposing the synthesized TSC uncoated and coated AgNPs to Gram‐negative E. coli bacteria at a concentration of 50 mg L−1, the zone inhibition was found to be 5 mm and 6 mm, respectively. Again, TSC coated AgNPs exhibited a notable zone inhibition of 8 mm to Gram‐positive S. aureus. These results suggest that chemically synthesized TSC coated AgNPs could be used as an antibiotic against S. aureus and E. coli, which is very inspiring.
Graphene‐Based Nanomaterials for Biomedical, Catalytic, and Energy Applications
Authors: Basak Soumyadeep , Packirisamy Gopinath
Published: September 2021

Nanotechnology has provided us with unimaginable possibilities in addressing worldly challenges. Since its discovery in 2004, Graphene has been considered a “Holy Grail” of nanomaterials for its unprecedented applicability in different fields, including biomedical, energy harvest and storage, sensing applications. Throughout the world, tremendous waves of research have been going on to exploit graphene‘s unique thermal, mechanical, electrical, catalytic, and biological properties. Besides, efficient and tunable techniques of graphene‘s bulk manufacturing have been under thorough investigation. This article reviews various recent studies on large‐scale graphene synthesis with tunable properties. Several different ways of graphene‘s use in various catalytic platforms are also reviewed. Furthermore, recent biomedical and energy (storage and harvest) applications of graphene, especially in microbial fuel cell technology, bio‐sensing, antimicrobial applications, have been discussed in this article.
Copper‐Catalyzed Decarboxylative Cycloaddition of Alkynyl Carboxylic Acids and Sodium Azide with Epoxides and Ethers
Authors: Beukeaw Danupat , Yotphan Sirilata
Published: September 2021

Copper‐catalyzed decarboxylative cycloaddition of alkynyl carboxylic acids and sodium azide with structurally different epoxides and ethers has been reported for the regioselective synthesis of 1,4‐disubstituted‐1,2,3‐triazoles. These one‐pot transformations are likely to proceed through a mechanism that involves an in situ generated organic azide intermediate, a decarboxylative formation of copper‐alkyne component, and a ring closure to form triazole product. The present three‐component protocols offer several advantages including using economic, bench stable and safe azide source, simple and convenient experimental procedures, high product yields, excellent regioselectivity, wide substrate scope and good functional group tolerance, which could promote their potential synthetic applications in many related areas.
Recent Progress on the Solar‐Driven Interfacial Evaporation Based on Natural Products and Synthetic Polymers
Authors: Wang Fei , Li Jiyan , Bai Wei , Wang Chengjun , Li An
Published: September 2021

Solar steam generation (SSG) has emerged as a promising technology to utilize solar energy for desalination. As the key part of the SSG system, photothermal materials (PMs) play a critical role due to their unique solar‐driven interface evaporation pattern. Herein, the research progress of PMs based on natural products and synthetic polymers in recent years is reviewed. The major emphasis lies on the preparation method, the structure, and the solar energy conversion efficiency of such PMs. Further understanding of the structure–performance relationship of these materials may supply useful guidance for design and fabrication of high‐performance PMs, which is of great importance for the promotion of practical application of SSG.
Ionic Liquid Additive‐Assisted Highly Efficient Electron Transport Layer‐Free Perovskite Solar Cells
Authors: Duan Chenhui , Cao Jinguo , Liang Zihui , Ming Yidong , Li Jin , Zhao Li , Dong Binghai , Li Jing , Wu Congcong , Wang Shimin
Published: September 2021

Perovskite solar cells (PSCs) have achieved unprecedented power conversion efficiency improvements, and further development is stepping to industrialization. In terms of industrial manufacturing, simplifying the solar cell structure is critical in both fabrication process design and cost control. Due to the bipolar charge transport nature of perovskites, the elimination of the charge carrier transport layer is possible. Herein, EMIMPF6 ionic liquid is incorporated into the perovskite film to modulate the energy‐level alignment and the charge transfer kinetics, demonstrating a high‐performance electron transport layer‐free (ETL‐free) PSC. The integrated EMIMPF6 assisted the internal charge collection and favored the interfacial charge transfer from perovskite to FTO substrate, contributing to the high performance of ETL‐free PSCs. The ETL‐free PSCs showed a conversion efficiency of 16.2%, which is comparable with its conventional counterpart. This work provides a solution to simplify the PSC structure and would have an impact on designing a scalable manufacturing process for PSCs.
The Effect of Cs/FA Ratio on the Long‐Term Stability of Mixed Cation Perovskite Solar Cells
Authors: Choi Dong-Hyeok , Seok Hae-Jun , Kim Su-Kyung , Kim Do-Hyung , Hou Bo , Kim Han-Ki
Published: September 2021

Formamidinium lead iodide (FAPbI3) is ideal for highly efficient and operationally stable perovskite solar cells (PSC). However, a primary challenge for FAPbI3 PSC is to suppress the phase transition from the photoactive black phase into the yellow nonperovskite δ‐phase. The preparation of Cs‐containing mixed FAPbI3 perovskite by cation stoichiometric engineering is demonstrated and the influence of the Cs/FA ratio on its phase stability and device performance is discussed. By exploring the optimal ratio of Cs and FA cations in Cs
x
FA1−x
Pb(I0.94Br0.06)3 perovskite, an inverted planar device with Cs0.17FA0.83Pb(I0.94Br0.06)3 composition shows the best power conversion efficiency (PCE) of 16.5% in an active area of 1.08 cm2. More importantly, the Cs0.17FA0.83Pb(I0.94Br0.06)3 perovskite photoactive layer showed remarkable long‐term stability, maintaining 88.1% of its initial efficiency for 1128 h in the presence of moisture and oxygen and without any encapsulation. The excellent long‐term stability is found to originate from the appropriate tolerance factor and low thermodynamic decomposition energy, which underpins the strong potential for the commercialization of Cs‐containing mixed FAPbI3 PSCs.
Solution‐Processed Compact Sb2S3 Thin Films by a Facile One‐Step Deposition Method for Efficient Solar Cells
Authors: Zhu Liangxin , Chen Junwei , Liu Rong , Dong Chao , Yang Shangfeng , Chen Tao , Chen Chong , Qiao Quinn , Wang Mingtai
Published: September 2021

Antimony sulfide (Sb2S3) is a promising photon‐harvesting material for solar cells. Herein, a facile one‐step deposition method is reported for controllably preparing Sb2S3 nanoparticle films with a preferential [221]‐orientation to a certain extent from a novel precursor solution, formed by dissolving antimony acetate and thiourea in acidified N,N‐dimethylformamide. With titania (TiO2) nanoparticle films as substrates for in situ‐growing Sb2S3 films, the high‐quality Sb2S3/TiO2 planar heterojunction films are obtained for efficient solar cells. The effects of the concentration and [S]/[Sb] molar ratio in the precursor solution on the Sb2S3 film formation and the device performance are investigated. A considerable power conversion efficiency of 5.74% is achieved under AM 1.5G illumination (100 mW cm−2), which is the highest efficiency for the solar cells based on solution‐processed Sb2S3 nanoparticle films by one‐step deposition method without further modification. A promising solution‐processing method is provided to prepare high‐quality Sb2S3 films for efficient solar cells and other optoelectronics.
3D Multilevel Modeling of Surface Roughness Influences on Hole Expansion Ratios
Authors: Wechsuwanmanee Peerapon , Lian Junhe , Münstermann Sebastian
Published: September 2021

The steel grade DP1000 is widely used in various industrial application fields. Its mechanical properties satisfy basic requirements in terms of strength and global formability due to the tailored microstructure composed of ductile ferrite and hard martensite. Nevertheless, the edge crack sensitivity of dual‐phase steels is still of interest. For its evaluation, hole expansion tests have become a standard experimental approach. Finite element simulation is a tool that further supports the assessment of edge crack resistance by providing insights into local stress and strain fields at the formed edges during hole expansion tests. However, there are still discrepancies between the experiments and simulations in terms of force–displacement curves and hole expansion ratios due to several factors including the hole edge surface condition. To overcome these discrepancies, this work proposes a 3D multiscale simulation strategy to quantify this factor under a complex loading case and to include it into the simulation approaches. The workflow is sufficiently general to handle arbitrary load cases. Compared with state‐of‐the‐art ductile damage mechanics simulations, the accuracy of the simulations is significantly improved.