bluuebunny/crossref_metadata_2025 huggingface dataset:
Cu7Te4 as an Anode Material and Zn Dendrite Inhibitor for Aqueous Zn‐Ion Battery
Authors: Li Wei , Ma Yongsong , Shi Hao , Jiang Kai , Wang Dihua
Published: July 2022

Zn metal is a promising anode material for high‐energy‐density aqueous batteries, but it is plagued by dendrite, low stripping/plating efficiency, and inevitable depletion of active Zn. Herein, a low‐intercalation‐potential material, Cu7Te4, is reported as both an anode material and Zn dendrite inhibitor for aqueous Zn batteries. A low plateau of 0.2 V (vs Zn2+/Zn), high capacity of 216 mA h g–1, and superior cyclability over 4200 cycles can be realized by Cu7Te4 anode. Moreover, when Zn is modified with Cu7Te4 layer, a hybrid anode based on “intercalation–deposition” mechanism can be ingeniously developed, in which Zn2+ ions are sequentially inserted into Cu7Te4 and uniformly deposed on Zn at successive low potential. A battery built on such a mechanism sustains more than 1000 h and 1000 times in comparison to less than 100 h and 350 times of a bare Zn. Furthermore, an aqueous “rocking–chair” Cu7Te4//ZnI2 Zn‐ion full battery is further demonstrated, which can realize energy densities of 65.3 Wh kg–1 and 86% capacity retentions after 10 000 cycles. This research contributes to a stable anode material for aqueous Zn batteries and provides an effective strategy to address the Zn dendrite.
Semicrystalline Conjugated Polymers with Well‐Defined Active Sites for Nitrogen Fixation in a Seawater Electrolyte
Authors: Lai Feili , Huang Jiajia , Liao Xunfan , Zong Wei , Ge Lingfeng , Gan Feng , Fang Yuting , Miao Yue‐E , Hofkens Johan , Liu Tianxi , Dai Liming
Published: July 2022

Faradaic efficiency for the nitrogen reduction reaction (NRR) is often limited by low N2 solubility in the electrolyte, while a large number of intimate contacts between the electrolyte and solid catalyst can also inevitably sacrifice many active sites for the NRR. Here, it is reported that a “quasi‐gas–solid” interface formed in donor–acceptor‐based conjugated polymers (CPs) is beneficial to boosting the NRR process and at the same time suppressing the competing hydrogen evolution reaction. Of particular interest, it is found that a semicrystalline CP catalyst, SC‐PBDT‐TT, exhibits a high Faradaic efficiency of up to 60.5% with a maximum NH3 production rate of 16.8 µg h−1 mg−1 in a neutral‐buffered seawater electrolyte. Molecular dynamics and COMSOL Multiphysics simulations reveal the origin of the observed high NRR performance arising from the presence of desirable crystal regions to resist the penetration of H2O molecules, leading to the formation of a “quasi‐gas–solid” interface inside the catalyst for a favorable direct‐contact between the catalyst and N2 molecules. Furthermore, high‐throughput computations, based on density functional theory, reveal the actual real active site for N2 adsorption and reduction in SC‐PBDT‐TT. This work provides a new framework for optimizing NRR performance of metal‐free catalysts by controlling their crystallinities.
Magneto‐Ionics in Annealed W/CoFeB/HfO2 Thin Films
Authors: Pachat Rohit , Ourdani Djoudi , Syskaki Maria‐Andromachi , Lamperti Alessio , Roy Subhajit , Chen Song , Pietro Adriano Di , Largeau Ludovic , Juge Roméo , Massouras Maryam , Balan Cristina , van der Jagt Johannes Wilhelmus , Agnus Guillaume , Roussigné Yves , Gabor Mihai , Chérif Salim Mourad , Durin Gianfranco , Ono Shimpei , Langer Jürgen , Querlioz Damien , Ravelosona Dafiné , Belmeguenai Mohamed , Herrera Diez Liza
Published: July 2022

The magneto‐ionic modulation of the Dzyaloshinskii–Moriya interaction (DMI) and the perpendicular magnetic anisotropy (PMA), in W/CoFeB/HfO2 stacks annealed at different temperatures and for varying annealing times, are presented in this work. A large modulation of PMA and DMI is observed in the systems annealed at 390 and 350 °C, whereas no response to voltage is observed in the as‐grown samples. A strong DMI is only observed in the samples annealed at 390 °C for 1 h, while PMA is present for all annealing times at temperatures of 390 and 350 °C. Magnetic properties including domain wall velocity improve drastically with increasing the annealing temperature and time, while the magneto‐ionic reversibility is increasingly compromised. The changes in PMA and DMI induced by the gate voltages in the samples annealed at 390 °C are permanent, while partial reversibility is only observed for the samples annealed at 350 °C for short times. This dependence of reversibility on post‐grown annealing has been associated to the influence of crystallization on ion mobility. These results show that a compromise between the enhancement of the magnetic properties and the magneto‐ionic performance could be needed in systems requiring annealing to develop PMA and DMI.
Rhodium(CAAC)‐Catalyzed Arene Hydrogenation of Benzo‐Fused N‐Heterocycles to Saturated Building Blocks with an all‐cis Configuration
Authors: Schiwek Christian H. , Stegbauer Simone , Pickl Thomas , Bach Thorsten
Published: July 2022

Saturated carbo‐ and heterocyclic building blocks can be readily obtained by the hydrogenation of aromatic carbo‐ and heterocycles. Although a variety of methods have been established to accomplish this transformation for simple arenes, the hydrogenation of aromatic N‐heterocycles is less explored. We herein report a diastereoselective arene hydrogenation which was applied to an array of benzo‐fused N‐heterocycles. A total of 48 saturated heterocycles was obtained by hydrogenation in the presence of the rhodium complex Cy(CAAC)Rh(cod)Cl in yields of 72–98% with moderate to high diastereoselectivities exhibiting the hydrogen atoms in an all‐cis arrangement. The high tolerance towards functional groups enables the formation of valuable saturated products, which offer a starting point for further derivatization.

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Concepts of Entheseal Pain
Authors: De Lorenzis Enrico , Natalello Gerlando , Simon David , Schett Georg , D'Agostino Maria Antonietta
Published: July 2022

Pain is the main symptom in entheseal diseases (enthesopathies) despite a paucity of nerve endings in the enthesis itself. Eicosanoids, cytokines, and neuropeptides released during inflammation and repeated nonphysiologic mechanical challenge not only stimulate or sensitize primary afferent neurons present in structures adjacent to the enthesis, but also trigger a “neurovascular invasion” that allows the spreading of nerves and blood vessels into the enthesis. Nociceptive pseudounipolar neurons support this process by releasing neurotransmitters from peripheral endings that induce neovascularization and peripheral pain sensitization. This process may explain the frequently observed dissociation between subjective symptoms such as pain and the structural findings on imaging in entheseal disease.
Interaction between Nickel Oxide and Support Promotes Selective Catalytic Reduction of NOx with C3H6
Authors: Diao Fan , Wang Chizhong , Qiu Lei , Yin Yimeng , Zhao Feilin , Chang Huazhen
Published: July 2022

Selective catalytic reduction of nitrogen oxides (NOx) with C3H6 (C3H6‐SCR) was investigated over NiO catalysts supported on different metal‐oxides. A NiAlOx mixed oxide phase was formed over NiO/γ‐Al2O3 catalyst, inducing an immediate interaction between NiOx and AlOx species. Such interaction resulted in a charge transfer from Ni to Al site and the formation of Ni species in high oxidation state. In comparison to other NiO‐loaded catalysts, NiO/γ‐Al2O3 catalyst exhibited the highest NOx conversion at temperature higher than 450 °C, but a poor C3H6 oxidation activity due to the decreased nucleophilicity for surface oxygen species. By temperature‐programed NO oxidation, it is indicated that nitrate species were rapidly formed and stably maintained at high temperature over NiO/γ‐Al2O3 catalyst. In situ transient reactions further verified the Langmuir–Hinshelwood mechanism for C3H6‐SCR, where both gaseous NO and C3H6 were adsorbed and activated on catalyst surface and reacted to generate N2. Due to the strong metal‐support interaction over NiO/γ‐Al2O3 catalyst, both nitrate and CxHyOz intermediates were well preserved to attain high C3H6‐SCR activity.
Erfahrungen aus dem Rückbau der Brücke am Altstädter Bahnhof in der Stadt Brandenburg – Teil 2: Schadensmonitoring bei zerstörenden Versuchen
Authors: Pirskawetz Stephan , Steinbock Oliver , Hille Falk , Schmidt Sebastian , Hofmann Detlef
Published: July 2022

Im Dezember 2019 wurden bei einer turnusmäßigen Inspektion der B 1‐Brücke am Altstädter Bahnhof in Brandenburg an der Havel massive und schnell voranschreitende Schäden festgestellt. Als Ursache für die Risse entlang der Längsträger wurde das Versagen eines signifikanten Anteils der Spanndrähte der konzentrierten Spannglieder vermutet. Die Brücke wurde umgehend für den Verkehr gesperrt und im Mai 2021 gesprengt. Im Vorfeld der Sprengung wurden durch das Bundesministerium für Digitales und Verkehr (BMDV) weiterführende Untersuchungen zum Schadensbild veranlasst, welche vom Landesbetrieb Straßenwesen Brandenburg koordiniert und in den Bauablauf integriert wurden. Das von der Hochschule für Technik und Wirtschaft (HTW) Dresden erstellte Versuchskonzept ist Bestandteil des vorangestellten ersten Teils des Beitrags [1]. Hier im zweiten Teil werden ausgewählte Ergebnisse der umfangreichen versuchsbegleitenden Mess‐ und Monitoringmaßnahmen beschrieben, welche in Kooperation der HTW Dresden, der Bilfinger Noell GmbH sowie der Bundesanstalt für Materialforschung und ‐prüfung (BAM) durchgeführt wurden.
Synthesis, Molecular Docking and Biological Evaluation of N‐Substituted Indole Derivatives as Potential Anti‐Inflammatory and Antioxidant Agents
Authors: Kumari Archana , Singh Rajesh Kumar
Published: July 2022

Novel N‐substituted Indole derivatives with various hetero‐cyclic moieties were synthesized via an ethyl linker in order to obtain highly potent anti‐inflammatory and antioxidant agents. The structure of the obtained chemical compounds was determined using IR, 1H‐NMR, and mass spectroscopy. Molecular docking was used to create selective and efficient COX‐2 inhibitors from twelve novel indole derivatives (11a–c, 12a–c, 13a–c, and 14a–c). The compounds 13b and 14b had a high interaction energy, which inhibited the COX‐2 enzyme. There is a relationship between anti‐inflammatory activity and antioxidants, which is also defined by COX‐2 inhibition, according to the mechanism of action. The Swiss ADME online programme was used to determine the drug‐like properties of synthesized compounds. Two common and reliable methods were adopted to determine the antioxidant effect. In the DPPH assay, compounds 11a, 11b, and 14b, whereas compounds 11b, 13b, and 14b in the reducing power assay, were the most potent as compared with standard ascorbic acid. To evaluate the anti‐inflammatory effect at an acute and chronic level, the carrageenan‐induced paw edema method along with the formalin‐induced inflammation method were used both at low dose and high dose. From the collected results, compounds 13b and 14b were the most potent against acute and chronic inflammation. The results showed that the synthesized compounds are unique as anti‐inflammatory and antioxidant agents, and that they could be useful for drug discovery in the future.
Cu‐Catalyzed Chan–Evans–Lam Coupling Reactions of 2‐Nitroimidazole with Aryl Boronic Acids: An Effort toward New Bioactive Agents against S. pneumoniae
Authors: Raju Selvam , Sheridan Patrick E. , Hauer Alanna K. , Garrett Allyn E. , McConnell Danielle E. , Thornton Justin A. , Stokes Sean L. , Emerson Joseph P.
Published: July 2022

The coupling of phenylboronic acids with poorly‐activated imidazoles is studied as a model system to explore the use of copper‐catalyzed Chan–Evans–Lam (CEL) coupling for targeted C−N bond forming reactions. Optimized CEL reaction conditions are reported for four phenanthroline‐based ligand systems, where the ligand 4,5‐diazafluoren‐9‐one (dafo, L2) with 1 molar equivalent of potassium carbonate yielded the highest reactivity. The substrate 2‐nitroimidazole (also known as azomycin) has documented antimicrobial activity against a range of microbes. Here N‐arylation of 2‐nitroimidazole with a range of aryl boronic acids has been successfully developed by copper(II)‐catalyzed CEL reactions. Azomycin and a range of newly arylated azomycin derivatives were screened against S. pneumoniae, where 1‐(4‐(benzyloxy)phenyl)‐2‐nitro‐1H‐imidazole (3d) was demonstrated to have a minimal inhibition concentration value of 3.3 μg/mL.
Atrial functional mitral regurgitation: A cautionary tale?
Authors: Inci Errol , Block Peter C.
Published: July 2022

Key Points

Approximately one‐third of patients with functional mitral regurgitation (FMR) have atrial FMR (A‐FMR) and need to be identified.

Transcatheter edge to edge repair (TEER) may benefit patients with A‐FMR.

Many unknowns remain concerning A‐FMR and TEER which require further investigation.
Lifetime management when a redo is in the balance
Authors: Alasnag Mirvat
Published: July 2022

Key Points

Valve‐in‐valve transcatheter aortic valve replacement is associated with better short‐term outcomes, including all‐cause mortality, compared with redo surgical replacement.

As the adoption of valve‐in‐valve transcatheter aortic valve replacement continues to grow, it is critical to generate evidence for long‐term durability and survival.

The initial implant, whether surgical or transcatheter, is an important determinant of future options.
May FFR‐guided PCI save lives?
Authors: Di Serafino Luigi , Esposito Giovanni
Published: July 2022

Key Points

PCI driven by a positive FFR value might be associated with a significant reduction in mortality rate in patients presenting with chronic coronary syndromes as compared with angiography alone

FFR should not be considered only for deferring but also for correctly indicating revascularization with PCI

Future randomized studies should focus on the impact of the appropriateness of PCI on clinical outcome
Those pesky anomalous coronary arteries: The importance of recognition before surgical repair of congenital cardiac disease and those mysterious Q waves
Authors: Patel Nachiket J. , Heuser Richard R.
Published: July 2022

Key Points

Most infants with tetralogy of Fallot have staged surgical repairs of this complex congenital cardiac anomaly.

Coronary anomalies occur in a tetralogy about 5% of the time.

The most common coronary anomaly in the tetralogy of Fallot is an anomalous takeoff of the left anterior descending coronary artery of the right coronary artery which can be plicated during complete repair of the defect when the obstructed RV outflow tract is surgically opened.
Retrograde CTO PCI—the final frontier—challenges and outcomes
Authors: Kalyanasundaram Arun , Seth Ashok
Published: July 2022

Key Points

Increasing operator experience and an algorithmic approach of transitioning to retrograde approach when antegrade technique fails, have improved the success rates in CTO PCI.

Upfront (Primary)retrograde approach is used in some cases with moderate success and the presence of usable collateral is the most important predictor of this.

While pursuing improved revascularization rates of CTO PCI, one should also keep in mind patient safety and complications rates.
Ticagrelor monotherapy after coronary stenting in patients requiring proton pump inhibitor and prolonged antiplatelet therapy
Authors: Ashley Kellan E. , Hillegass William B.
Published: July 2022

Key Points

Approximately half of patients undergoing coronary stenting are discharged on a proton‐pump inhibitor (PPI).

Post‐hoc analysis of the large GLOBAL LEADERs trial finds PPI treatment and aspirin monotherapy after a year of dual antiplatelet therapy (DAPT) is associated with increased risk of ischemic events. In contrast, PPI treatment and continued ticagrelor monotherapy are not associated with increased ischemic events in the second year after stenting.

This observational evidence suggests the GLOBAL LEADERS tested ticagrelor monotherapy regimen could be considered in patients requiring both prolonged antiplatelet therapy (>12 months) and PPI for increased bleeding risk.
Angiographic predictors of aberrant circumflex artery during cardiac catheterization
Authors: Triantafyllis Andreas S. , van Nunen Lokien X. , Lesizza Pierluizi , Pagourelias Efstathios D. , Kalogeris Aimilianos , Bouwmeester Sjoerd , Tsinivizov Pavlos , Kontogiannis Nestoras , Giannakopoulos Andreas , Poulimenos Leonidas E. , Bennett Johan , Teeuwen Koen , Kyfnidis Konstantinos , Desmet Walter , Tonino Pim A. L. , McCutcheon Keir
Published: July 2022

Objectives

To identify angiographic predictors of aberrant left circumflex artery (LCx) by comparing left main (LM) length and bifurcation angle between patients with aberrant LCx and normal anatomy.

Background

Failure to recognize aberrant LCx during a cardiac catheterization may hamper correct diagnosis, delay intervention in acute coronary syndromes, and result in increased contrast volume, radiation exposure, and infarct size.

Methods

We retrospectively analyzed angiograms of aberrant LCx patients and normal anatomy matched controls, in three‐participating centers. LM‐length, bifurcation angle between the left anterior descending (LAD) and the first non‐LAD branch of the LM, and procedural data were compared.

Results

Between 2003 and 2020, 136 patients with aberrant LCx and 135 controls were identified. More catheters (2.4 ± 0.6 vs. 2.2 ± 0.9, p = 0.009), larger contrast volumes (169 ± 94 ml vs. 129 ± 68 ml, p < 0.0005), and prolonged fluoroscopy time (652.9 ± 623.7 s vs. 393.1 ± 332.1 s, p < 0.0005), were required in the aberrant LCx‐group compared with controls. Patients with aberrant LCx had a longer LM‐length and a more acute bifurcation angle, both in caudal and cranial views, compared with controls (24.7 ± 8.1 vs. 10.8 ± 4.5 mm, p < 0.0005 and 26.7 ± 7.4 vs. 12 ± 5.5 mm, p < 0.0005, respectively, and 45.2° ± 12° vs. 88.8° ± 23°, p < 0.0005 and 51.9° ± 21° vs. 68.2° ± 28.3°, p < 0.0005, respectively). In ROC analysis, LM‐length showed the best diagnostic accuracy for detecting aberrant LCx. In multiple logistic regression analysis, a cranially measured LM‐length > 17.7 mm was associated with a 5.3 times greater probability of predicting aberrant LCx [95% CI (3.4–8.1), p < 0.0001].

Conclusions

Our study suggests that a long LM‐length and an acute bifurcation angle can indicate the presence of aberrant LCx. We present a practical algorithm for its rapid identification.
One‐Pot Synthesis of High‐Strained Metal Vinylidene and Metal Carbyne
Authors: Huang Fanping , Yan Zhewei , Zheng Xuejuan , Cai Yapeng , Zhang Hong , Xia Haiping
Published: July 2022

A novel one‐pot reaction producing a metal vinylidene structure in a five‐membered ring by cyclization of a multiyne has been achieved. The ring strain and the high stability of the cyclic metal vinylidene complexes have been analyzed experimentally and computationally. The metal vinylidene unit in a fused‐ring complex is unreactive to both nucleophiles and electrophiles. It reacts however at the nearby carbonyl group achieving the unprecedented conversion of metal tributing factors for the aromaticity‐driven process has been studied by DFT calculations.
Interview with Prof. Dr. Benjamin List: Nobel Laureate in Chemistry 2021
Authors: Dilanas Melina E. A. , Dobbelaar Emiel , Gerischer Charlotte M. , Haseloer Alexander , John Torsten , Neumeier Claudia
Published: July 2022

In an interview with Benjamin List, winner of the 2021 Nobel Prize in Chemistry, members of the Young Chemists’ Network (JCF) of the German Chemical Society (GDCh) asked him about his science, his career, and the academic system. Benjamin List, Director at the Max‐Planck‐Institut für Kohlenforschung in Germany, was awarded the Nobel Prize together with David W. C. MacMillan (Princeton University, USA) for the development of asymmetric organocatalysis. After studying chemistry at the Free University of Berlin, he received his doctorate from Goethe University in Frankfurt. He discovered the amino acid proline to be an efficient catalyst and thus co‐founded the field of organocatalysis. In 2016, he received the Gottfried Wilhelm Leibniz Prize, which is considered the most important research award in Germany.
Deep Dive into Lattice Dynamics and Phonon Anharmonicity for Intrinsically Low Thermal Expansion Coefficient in CuS
Authors: Samanta Sudeshna , Gusain Meenakshi , Zhang Yiming , Zhan Yiqiang , Zhang Hao , Wang Lin , Xiong Shisheng
Published: July 2022

Scientists enquire about materials engineered with high nanoparticle densities with reduced thermal conductivity and excellent thermoelectric performance. An emerging mineral, copper sulfide (CuS) promises a novel paradigm in the proximity of pressure‐driven structural phase transitions to tune its functional and mechanical properties. Though CuS is a thermoelectric material with low lattice thermal conductivity (
), improvement of its
remains a challenge to be addressed. Moreover, the underlying mechanism governing pressure‐induced phase transformation and reasons for intrinsically small
remains completely unexplored. In this study, by combining in‐situ vibrational spectroscopy and ab initio calculations, we reveal that strong phonon anharmonicity under high pressure and low temperature demonstrates a promising approach to decreasing
efficiently and boosts thermoelectric figure of merit by 2.7 times from its ambient value. A large mode Grüneisen parameter and short lifetimes for acoustic phonons contribute significantly to its thermal transport.
Multifocal cutaneous angiosarcoma of the scalp—A challenging reconstructive case managed with skin substitutes
Authors: Messias Henrique , Martins Mariluz , Zagalo Carlos , Gomes Pedro
Published: July 2022

Background

Cutaneous angiosarcoma (AS) of the head and neck is a rare highly aggressive tumor, often associated with difficult local control of the disease and poor prognosis. This article describes a case of multifocal cutaneous AS of the scalp, mainly addressing its difficult surgical management and challenging reconstruction and concludes with a review of the literature.

Methods

A 70‐year‐old Caucasian male was referred to our hospital with a growing scalp lesion initially suspected to be benign, but later diagnosed with AS.

Results

The patient had tumor recurrence and a difficult reconstruction for which dermal substitutes proved very useful.

Conclusion

AS can mimic a benign lesion in its early stages. Skin substitutes, namely dermal templates, can be useful to meet the complex needs of reconstruction and oncological surveillance of patients with AS.
Gold–Hydrogen Analogy in Small–Sized Hydrogen–Doped Gold Clusters Revisited
Authors: Megha  , Mondal Krishnakanta , Ghanty Tapan K. , Banerjee Arup
Published: July 2022

The analogy between gold and hydrogen is a subject of long‐standing debate. In the present work, we examine the validity of the gold‐hydrogen analogy in a series of small‐sized H‐doped gold clusters, Aun−1H with n varying between 2 and 10 and also investigate its dependence on the cluster size. Keeping in mind the importance of the role of structures, we make use of the genetic algorithm coupled with a density functional theory based method to exhaustively search and identify the energetically low‐lying structures of each of the H‐doped gold clusters. These lower energy structures of H‐doped and pristine gold clusters are then employed to carry out the calculations of their electronic properties, stability analysis as well as their reactivity towards the adsorption and activation of CO and O2 molecules. Our study shows that in line with the gold‐hydrogen analogy, both electronic properties and the adsorption/activation characteristics of H‐doped gold clusters remain very similar to those of pristine gold clusters.
Validation of a noninvasive aMMP‐8 point‐of‐care diagnostic methodology in COVID‐19 patients with periodontal disease
Authors: Gupta Shipra , Mohindra Ritin , Singla Mohita , Khera Sagar , Kumar Amit , Rathnayake Nilminie , Sorsa Timo , Pfützner Andreas , Räisänen Ismo T. , Soni Roop K. , Kanta Poonam , Jain Akanksha , Gauba Krishan , Goyal Kapil , Singh Mini P. , Ghosh Arnab , Kajal Kamal , Mahajan Varun , Suri Vikas , Bhalla Ashish
Published: July 2022

Objectives

The aim of this study was to validate an active matrix metalloproteinase (MMP‐8) point‐of‐care diagnostic tool in COVID‐19 patients with periodontal disease.

Subjects, Materials, and Methods

Seventy‐two COVID‐19‐positive and 30 COVID‐19‐negative subjects were enrolled in the study. Demographic data were recorded, periodontal examination carried out, and chairside tests run for evaluating the expression of active MMP‐8 (aMMP‐8) in the site with maximum periodontal breakdown via gingival crevicular fluid sampling as well as via a mouth rinse‐based kit for general disease activity. In COVID‐19‐positive patients, the kits were run again once the patients turned COVID‐19 negative.

Results

The overall (n = 102) sensitivity/specificity of the mouthrinse‐based kits to detect periodontal disease was 79.41%/36.76% and that of site‐specific kits was 64.71%/55.88% while adjusting for age, gender, and smoking status increased the sensitivity and specificity (82.35%/76.47% and 73.53%/88.24, respectively). Receiver operating characteristic (ROC) analysis for the adjusted model revealed very good area under the ROC curve 0.746–0.869 (p < .001) and 0.740–0.872 (p < .001) (the aMMP‐8 mouth rinse and site‐specific kits, respectively). No statistically significant difference was observed in the distribution of results of aMMP‐8 mouth rinse test (p = .302) and aMMP‐8 site‐specific test (p = .189) once the subjects recovered from COVID‐19.

Conclusions

The findings of the present study support the aMMP‐8 point‐of‐care testing (PoCT) kits as screening tools for periodontitis in COVID‐19 patients. The overall screening accuracy can be further increased by utilizing adjunctively risk factors of periodontitis. The reported noninvasive, user‐friendly, and objective PoCT diagnostic methodology may provide a way of stratifying risk groups, deciding upon referrals, and in the institution of diligent oral hygiene regimens.
A new detailed loss model and design approach for LLC resonant converter with phase shift control to overall optimization of converter loss at whole battery charging process
Authors: Saadati Masoud , Ghayebloo Abbas
Published: July 2022

This paper proposes a new loss modeling and design method for phase shift controlled resonant LLC converter with optimization applied to minimize the overall loss during the whole battery charging process. In this work, the loss model has been formulated more accurately for phase shift controlled LLC converter. One of the contributions in accurate loss modeling is all switching modes of power switches have been investigated in detail in the aspect of zero voltage switching (ZVS) and ZCS occurrence and their related dynamic loss are updated in loss calculation during the whole charging process. In addition, to optimize the copper and core losses of high‐frequency transformer and resonant inductor, a design trend is included in optimization process to calculate the best physical dimensions and winding parameters of magnetic components. A genetic algorithm has been employed for the optimization during the charging process. In this work, the first harmonic approximation (FHA) model was developed and solved by nonlinear Newton–Raphson method in any operating point along one complete charging process. The target of optimization was designing a wall mounted type level 2 battery charger (7.4 kw/32A) for charging a battery pack with specs according to the Nissan Leaf 2011 electric vehicle. For verification of the proposed method, simulation results are provided and also experimental results for a low‐scale prototype are proposed. In this study, the average efficiency along the overall charging process obtained up to 95% in simulation and 84% in experiments.
Parafoveal processing and transposed‐letter effects in dyslexic reading
Authors: Kirkby Julie A. , Barrington Rhiannon S. , Drieghe Denis , Liversedge Simon P.
Published: July 2022

During parafoveal processing, skilled readers encode letter identity independently of letter position (Johnson et al., 2007). In the current experiment, we examined orthographic parafoveal processing in readers with dyslexia. Specifically, the eye movements of skilled readers and adult readers with dyslexia were recorded during a boundary paradigm experiment (Rayner, 1975). Parafoveal previews were either identical to the target word (e.g., nearly), a transposed‐letter preview (e.g., enarly), or a substituted‐letter preview (e.g., acarly). Dyslexic and non‐dyslexic readers demonstrated orthographic parafoveal preview benefits during silent sentence reading and both reading groups encoded letter identity and letter position information parafoveally. However, dyslexic adults showed, that very early in lexical processing, during parafoveal preview, the positional information of a word's initial letters were encoded less flexibly compared to during skilled adult reading. We suggest that dyslexic readers are less able to benefit from correct letter identity information (i.e., in the letter transposition previews) due to the lack of direct mapping of orthography to phonology. The current findings demonstrate that dyslexic readers show consistent and dyslexic‐specific reading difficulties in foveal and parafoveal processing during silent sentence reading.
In situ management options to improve crucian carp (Carassius carassius, L.) and brown trout (Salmo trutta, L.) population status in Central Europe: A case study from the Czech Republic
Authors: Lyach Roman
Published: July 2022

The crucian carp (Carassius carassius, L.) and the brown trout (Salmo trutta, L.) are vanishing from freshwater ecosystems of central Europe. To conserve both species, tailor‐made conservation management of habitats and populations of both species was implemented and tested in the Czech Republic (central Europe). This management was adjusted to reflect the ecological needs of both species. This study aimed to describe the results of a tested in situ management and to analyze the population growth of brown trout and crucian carp under ideal conditions. An experiment was performed at 14 small gravel pit lakes. Seven of them were adjusted to fit the crucian carp habitat requirements while the other seven were treated as a control group. The same experiment was done on 14 smaller streams and with brown trout. The occurrence and growth of crucian carp and brown trout were surveyed over 2 years. A significantly faster growth of both crucian carp and brown trout was observed on the adjusted lakes and streams in comparison to the control group ones. Trout and carp prospered on small streams and gravel pit lakes (respectively) that were free of angling, fish stocking, pollution, piscivorous predators, and competition with hybridizing species like Prussian carp (Carassius auratus, L.) or hatchery‐reared brown trout.
Pathways to the density‐dependent expression of cannibalism, and consequences for regulated population dynamics
Authors: Rosenheim Jay A. , Schreiber Sebastian J.
Published: July 2022

Cannibalism, once viewed as a rare or aberrant behavior, is now recognized to be widespread and to contribute broadly to the self‐regulation of many populations. Cannibalism can produce endogenous negative feedback on population growth because it is expressed as a conditional behavior, responding to the deteriorating ecological conditions that flow, directly or indirectly, from increasing densities of conspecifics. Thus, cannibalism emerges as a strongly density‐dependent source of mortality. In this synthesis, we review recent research that has revealed a rich diversity of pathways through which rising density elicits increased cannibalism, including both factors that (a) elevate the rate of dangerous encounters between conspecifics and (b) enhance the likelihood that such encounters will lead to successful cannibalistic attacks. These pathways include both features of the autecology of cannibal populations and features of interactions with other species, including food resources and pathogens. Using mathematical models, we explore the consequences of including density‐dependent cannibal attack rates on population dynamics. The conditional expression of cannibalism generally enhances stability and population regulation in single‐species models but also may increase opportunities for alternative states and prey population escape from control by cannibalistic predators.
Effect of Alkyl Groups on the Aerobic Peroxidation of Hydrocarbons Catalyzed by Cobalt(III) Alkylperoxo Complexes
Authors: Chen Yunzhou , Chen Gui , Man Wai‐Lun
Published: July 2022

The synthesis of various cobalt(III) complexes bearing a quaterpyridine ligand with different alkylperoxo groups via an unconventional approach is reported. Under ambient conditions, the cobalt(III) tert‐butylperoxo complex, [CoIII(OOtBu)(qpy)(NCCH3)]2+ (2) (qpy=2,2’:6’,2’’:6’’,2’’’‐quaterpyridine) oxidizes various organic substrates (RH) and leads to the formation of other alkylperoxo complexes with the general formula, [CoIII(OOR)(qpy)(NCCH3)]2+ [R=c‐C5H7 (3), PhCH2 (4), PhCHMe (5), PhCMe2 (6), p‐Br‐PhCMe2 (7), and p‐NO2‐PhCMe2 (8)]. The reactivity of 2 is further tuned by incorporating electron‐donating and ‐withdrawing substituents on the qpy ligand to afford [CoIII(OOtBu)(X‐qpy)(NCCH3)]2+ [X=Me2 (9), Me4 (10), and Cl2 (11)]. All complexes have been characterized by different physicochemical methods. The structures of 8, 9, and 11 are further determined by X‐ray crystallography. The kinetics of the aerobic peroxidation of cyclopentene with 2–11 indicate that the reaction rate depends on the R group with a descending order of tertiary>secondary>primary alkyl groups. In addition, the rate of reaction is also sensitive to the nature of substituents on qpy. Complexes with electron‐withdrawing substituents react more rapidly than those with electron‐donating substituents.
Photocatalytic Activity of Triphenylphosphine and Potassium Iodide System in the Decarboxylative Alkylation of 3‐Cyanochromones
Authors: Moczulski Marek , Artelska Angelika , Albrecht Łukasz , Albrecht Anna
Published: July 2022

The photocatalytic decarboxylative alkylation of 3‐cyanochromones using triphenylphosphine and potassium iodide as photoredox‐mediators has been described. The lower price of potassium iodide and triphenylphosphine, compared to standard photocatalysts, make this method cost‐effective and interesting. Visible light, cheap and readily available substrates, anhydrous solvent and inert atmosphere constitute the key parameters for the success of the developed transformation. The developed approach allows for obtaining a number of biologically relevant products with very good yields and benefits from a broad scope.
Sterically Hindered 2‐(2’‐Hydroxyphenyl)benzoxazole (HBO) Emitters: Synthesis, Spectroscopic Studies, and Theoretical Calculations
Authors: Stoerkler Timothée , Pariat Thibault , Laurent Adèle D. , Jacquemin Denis , Ulrich Gilles , Massue Julien
Published: July 2022

We describe various synthetic pathways to introduce sterically hindered substituents (mesityl, 2,4,6‐triisopropylphenyl, anthracene) to the proton donor side of excited‐state intramolecular proton transfer (ESIPT)‐capable 2‐(2’‐hydroxyphenyl) benzoxazole (HBO) fluorophores. Two original synthetic approaches were investigated in order to synthesize seven HBO derivatives. Optimization studies concluded that electron rich and bulky phosphine ligands are required to ensure completion of the Suzuki‐Miyaura cross‐coupling reaction involving a bulky aromatic boronic acid. The photophysical properties of all dyes revealed a strong influence of the nature of the solvent on the optical properties, as protic solvents tend to stabilize enol tautomers and induce dual emission. Our studies confirmed that, unlike the majority of organic dyes, ESIPT fluorophores do not undergo π‐stacking in the solid‐state. The nature of the excited‐states was explored by ab initio calculations.
Double Asymmetric Hydrogenation of (E)‐2‐Substituted‐4‐oxo‐2‐alkenoic Acids: An Efficient Synthesis of Chiral α, γ‐Disubstituted γ‐Butyrolactones
Authors: Liu Xian , Chen Cheng , Yuan Haohuan , Tang Xianglin , Jiang Ru , Gao Yue , Nie Huifang
Published: July 2022

Optical pure α, γ‐disubstituted γ‐butyrolactones moieties are versatile building blocks for the synthesis of many drugs and natural products. Herein we report a straightforward and efficient approach to afford a series of chiral α, γ‐disubstituted γ‐butyrolactones with excellent results (up to 98 % yield, up to >99 : 1 d.r., and up to >99 % ee) through the double asymmetric hydrogenation of the (E)‐2‐methyl‐4‐oxo‐2‐alkenoic acids utilizing the rhodium/JosiPhos catalytic system.
Fluorescent 2‐Hydroxy‐3‐(pyridin‐2‐yl)‐4H‐quinolizin‐4‐ones through Dimerization of Pyridineacetic Acids
Authors: Sokolov Anatolii I. , Sycheva Maria A. , Farkhutdinova Dilara A. , Myasnyanko Ivan N. , Mikhaylov Andrey A. , Baleeva Nadezhda S. , Bochenkova Anastasia V. , Baranov Mikhail S.
Published: July 2022

Pyridineacetic acids undergo dimerization under action of the activating agents, giving rise to 2‐hydroxy‐3‐(pyridin‐2‐yl)‐4H‐quinolizin‐4‐ones. The introduction of a difluoroboryl bridge into such derivatives leads to novel highly fluorescent compounds.
Phenanthrene‐Embedded Carbaporphyrinoids and Related Systems: From Ligands to Cages and Molecular Switches
Authors: Szyszko Bartosz
Published: July 2022

This Review discusses the recent developments in the field of synthetic chemistry of PAH–porphyrin hybrids, emphasizing phenanthrene‐embedded carbaporphyrinoids and related systems. The discussion covers various aspects of phenanthriporphyrin and its derivates chemistry, including their spectroscopic features, aromaticity, core reactivity, and coordination properties. The development of expanded phenanthriporphyrinoids is outlined, followed by the presentation of related carbaporphyrinoids incorporating hydrocarbon moieties such as fluorene, biphenyl, terphenyl, and dibenzo[g,p]chrysene. The exploitation of phenanthriporphyrinoids as a unique class of ligands for organometallic chemistry is discussed, altogether with their use for the construction of conformational and stereochemical switches. The perspective for using related macrocycles as building blocks for carbaporphyrinoid cages is also outlined.
Unsupervised machine and deep learning methods for structural damage detection: A comparative study
Authors: Wang Zilong , Cha Young‐Jin
Published: July 2022

While many structural damage detection methods have been developed in recent decades, few data‐driven methods in unsupervised learning mode have been developed to solve the practical difficulties in data acquisition for civil infrastructures in different scenarios. To address such a challenge, this article proposes a number of improved unsupervised novelty detection methods and conducts extensive comparative studies on a laboratory scale steel bridge to examine their performances of damage detection. The key concept behind unsupervised novelty detection in this article is that only normal data from undamaged/baseline structural scenarios are required to train statistical models with these methods. Then, these trained models are used to identify abnormal testing data from damaged scenarios. To detect structural damage in the form of loosening bolts in the steel bridge, four machine‐learning methods (i.e., K‐nearest neighbors method, Gaussian mixture models, one‐class support vector machines, density peaks‐based fast clustering method) and one deep learning method using a deep auto‐encoder are selected. Meanwhile, some modifications and improvements are made to enable these methods to detect structural damage in unsupervised novelty detection mode. In their comparative studies, the advantages and disadvantages of these methods are analyzed based on their results of structural damage detection.
Effect of low dose acetylsalicylic acid and anticoagulant on clinical outcomes in COVID‐19, analytical cross‐sectional study
Authors: Malik Muhammad B. , Amer Samar A. , Merrell Eric , Russo Ronald , Riley Jeffrey B. , Scro Austin , James Elizabeth , Anuforo Anderson , Adhikari Soumya , Siciliano Rosalie , Chebaya Philip , Darling Edward , Kuhn Michael , Nieman Gary , Shawkat Ahmed , Aiash Hani
Published: July 2022

Background and aims

The therapeutic strategy for the treatment of known sequelae of COVID‐19 has shifted from reactive to preventative. In this study, we aim to evaluate the effects of acetylsalicylic acid (ASA), and anticoagulants on COVID‐19 related morbidity and mortality.

Methods

This record‐based analytical cross‐sectional study targeted 539 COVID‐19 patients in a single United States medical center between March and December 2020. Through a random stratified sample, we recruited outpatient (n = 206) and inpatient (n = 333) cases from three management protocols, including standard care (SC) (n = 399), low‐dose ASA only (ASA) (n = 112), and anticoagulation only (AC) (n = 28). Collected data included demographics, comorbidities, and clinical outcomes. The primary outcome measure was inpatient admission. Exploratory secondary outcome measures included length of stay, 30‐day readmission rates, medical intensive care unit (MICU) admission, need for mechanical ventilation, the occurrence of acute respiratory distress syndrome (ARDS), bleeding events, clotting events, and mortality. The collected data were coded and analyzed using standard tests.

Results

Age, mean number of comorbidities, and all individual comorbidities except for asthma, and malignancy were significantly lower in the SC compared to ASA and AC. After adjusting for age and comorbidity via binary logistic regression models, no statistical differences were found between groups for the studied outcomes. When compared to the SC group, ASA had lower 30‐day readmission rates (odds ration [OR] 0.81 95% confidence interval [CI] 0.35–1.88, p = 0.63), MICU admission (OR 0.63 95% CI 0.34–1.17, p = 0.32), ARDS (OR 0.71 95% CI 0.33–1.52, p = 0.38), and death (OR 0.85 95% CI 0.36–1.99, p = 0.71).

Conclusion

Low‐dose ASA has a nonsignificant but potentially protective role in reducing the risk of COVID‐19 related morbidity and mortality. Our data suggests a trend toward reduced 30‐day readmission rates, ARDS, MICU admissions, need for mechanical ventilation, and mortality compared to the standard management protocol. Further randomized control trials are needed to establish causal effects.
The role of psychological self‐care on worry of vaccination against COVID‐19 in Iranian pregnant women: A cross‐sectional study
Authors: Mirtabar Seyyedeh M. , Kheirkhah Farzan , Basirat Zahra , Barat Shahnaz , Pahlavan Zeynab , Ghadimi Reza , Gholinia Hemmat , Fateri Nooshin , ZarinKamar Banafsheh , Faramarzi Mahbobeh
Published: July 2022

Background and Aims

Although previous studies have reported some psychological factors to prevent the worry of vaccination against COVID‐19 in pregnant women, the role of psychological self‐care is unclear. The present study aimed to investigate the role of psychological self‐care in pregnant women on the depressive symptoms, psychological distress, and worry of vaccination against COVID‐19.

Methods

The present cross‐sectional study was conducted during the peak of the Delta variant of COVID‐19 in Babol city (North, Iran) from August to November 2021. Two hundred pregnant women referring to three prenatal clinics completed five questionnaires including; demographic characteristics, Edinburgh postnatal depression scale, psychological self‐care, brief symptom inventory 18, corona disease anxiety scale, and acceptance of vaccination‐3 inventory.

Results

Pregnant women were in relatively good condition based on psychological self‐care but were not significantly associated with demographic characteristics, such as age, gestational age, educational background, pregnancy, and risk of parity. It was psychological self‐care of pregnant women which negatively predicted the depressive symptoms (β = −0.311, p < 0.001), anxiety symptoms (β = −0.269, p < 0.001), psychological distress (β = −0.269, p < 0.001), and worry of vaccination against COVID‐19 (β = −0.214, p < 0.001).

Conclusion

Women's psychological self‐care plays a protective role against the depressive symptoms, anxiety symptoms, psychological distress, and worry of vaccination against COVID‐19 during pregnancy. Clinicians need to pay more attention to the role of psychological self‐care as an important factor in preventing the symptoms of anxiety and depression during regular pregnancy visits.
Upregulated lncRNA‐NEF predicts recurrence and poor treatment outcomes of ankylosing spondylitis
Authors: Han Dapeng , Ouyang Guilin , Pan Peijun , Yuan Yuan
Published: July 2022

Introduction

Osteoporosis is related to lncRNA‐neighboring enhancer of FOXA2 (NEF) and inversely correlated to ankylosing spondylitis (AS), implying that lncRNA‐NEF might also relate to AS. Thus, the study was carried out to investigate the involvement of lncRNA‐NEF in AS.

Methods

The study included 60 AS patients and 60 healthy controls. LncRNA‐NEF expression in synovial fluid samples was analyzed by reverse transcription quantitative real‐time polymerase chain reaction. Disease activity of the 60 AS patients was determined using the Ankylosing Spondylitis Disease Activity Score (ASDAS) 1–4 and Bath Ankylosing Spondylitis Disease Activity Index (BASDAI). Western blot was carried out to investigate the effects of lncRNA‐NEF on inflammatory factors in human fibroblast‐like synovial (HFLS) cells. A 3‐year follow‐up was performed to analyze the role of lncRNA‐NEF in the prediction of the recurrence of AS.

Results

Our study observed that lncRNA‐NEF expression was upregulated in synovial fluid of AS patients and significantly correlated with the ASDAS 1–4, BASDAI, erythrocyte sedimentation rate (ESR), and C‐reactive protein level (p < .05). Treatment with nonsteroidal anti‐inflammatory drugs significantly downregulated lncRNA‐NEF expression (p < .01). A 3‐year follow‐up showed that patients with high lncRNA‐NEF levels had a high recurrence rate (hazard ratio = 2.266). In addition, lncRNA‐NEF was found to regulate the expression of inflammatory factors in HFLS cells.

Conclusions

Therefore, lncRNA‐NEF upregulation can predict recurrence and poor treatment outcomes of AS and has a great potential to serve as a predictive biomarker factor for the recurrent AS.
Profiling vitamin D, its mediators and proinflammatory cytokines in rheumatoid arthritis: A case–control study
Authors: Sakyi Samuel A. , Owusu‐Yeboah Mavis , Obirikorang Christian , Dadzie Ephraim Richard K. , Kwarteng Alexander , Opoku Stephen , Afranie Bright O. , Senu Ebenezer , Boateng Andy O. , Boakye Derrick K. , Buckman Tonnies A. , Amoani Benjamin
Published: July 2022

Introduction

The active form of vitamin D has immunomodulatory and anti‐inflammatory effect. Vitamin D is implicated in pathogenesis of rheumatoid arthritis (RA) and its deficiency leads to increased inflammation. Moreover, its production is dependent on concentration of calcium, phosphorus, and parathyroid hormone (PTH). Cytokines mediates inflammation in RA synovium. This study evaluated vitamin D, its mediators and proinflammatory cytokines among RA patients.

Methods

In a case–control study, 78 RA patients from Komfo Anokye Teaching Hospital rheumatology clinic and 60 healthy blood donors were recruited. Chemistry analyzer and enzyme‐linked immunosorbent assay kits were used to measure biochemical parameters and cytokines.

Results

We found significantly higher levels of interleukin (IL)‐1β, interferon gamma (IFN‐γ), and tumor necrosis factor‐α (TNF‐α) in RA patients compared with controls (p < .05). There was a significant positive correlation between intact parathyroid hormone (iPTH) and IL‐10 (r = .30, p < .05) and a negative correlation between IL‐6 (r = −0.28, p > .05), IL‐1β (r = −0.25, p > .05), TNF‐α (r = −0.26, p > .05), IFN‐γ (r = −0.24, p > .05), and iPTH. There was a significant negative correlation between IL‐1β (r = −0.33, p < .05), IFN‐ γ (r = −0.29, p < .05), and calcium.

Conclusion

Reduced PTH, calcium, and phosphorus is associated with higher levels of proinflammatory cytokines which may worsen RA disease condition. Vitamin D is therefore not an independent regulator of proinflammatory cytokines in RA.