bluuebunny/crossref_metadata_2025 huggingface dataset:
Cobalt isatin-Schiff-base derivative of MOF as a heterogeneous multifunctional bio-photocatalyst for sunlight-induced tandem air oxidation condensation process
Authors: Rouzifar Majid , Sobhani Sara , Farrokhi Alireza , Sansano José Miguel
Published: March 2023

A sunlight-induced tandem air oxidation-condensation of alcohols with ortho-substituted anilines or malononitrile for the efficient synthesis of benz-imidazoles/-oxazoles/-thiazoles, or benzylidene malononitrile catalyzed by Co-isatin-Schiff-base-MIL-101(Fe) as a heterogeneous multifunctional bio-photocatalyst is reported. In these reactions, Co-isatin-Schiff-base-MIL-101(Fe) acts both as a photocatalyst, and a Lewis acid to catalyze the reaction of the in-situ formed aldehydes with o-substituted anilines or malononitrile. A significant decrease in the band gap energy and an increase in the characteristic emission of MIL-101(Fe) after functionalization with cobalt Schiff-base according to the DRS analysis and fluorescence spectrophotometry, respectively, indicate that the photocatalytic effectiveness of the catalyst is associated primarily to the synergetic influence of Fe–O cluster and Co-Schiff-base. EPR results obviously pointed out that Co-isatin-Schiff-base-MIL-101(Fe) is capable of creating 1O2 and O2⋅− as active oxygen species under visible light irradiation. Using an inexpensive catalyst, sunlight irradiation, air as a cost-effective and abundant oxidant, and a low amount of the catalyst with recoverability and durability in ethanol as a green solvent, make this methodology as an environmentally friendly process with energy-saving organic synthetic strategies. Furthermore, Co-isatin-Schiff-base-MIL-101(Fe) displays excellent photocatalytic antibacterial activity under sunlight irradiation against E. coli, S. aureus and S. pyogenes. Based on our knowledge, this is the first report of using a bio-photocatalyst for the synthesis of the target molecules.
Retraction Note: The lincRNA-ROR/miR-145 axis promotes invasion and metastasis in hepatocellular carcinoma via induction of epithelial-mesenchymal transition by targeting ZEB2
Authors: Li Chen , Lu Lu , Feng Bing , Zhang Kai , Han Siqi , Hou Daorong , Chen Longbang , Chu Xiaoyuan , Wang Rui
Published: March 2023

Editor's Note: this Article has been retracted; the Retraction Note is available at https://doi.org/10.1038/s41598-023-32251-x
A Phase 1 randomized study on the safety and pharmacokinetics of OCS-05, a neuroprotective disease modifying treatment for Acute Optic Neuritis and Multiple Sclerosis
Authors: Villoslada Pablo , Masso Mar , Paris Stephane , Hutchings Simon , Koch Annelize
Published: March 2023

OCS-05 (aka BN201) is a peptidomimetic that binds to serum glucocorticoid kinase-2 (SGK2), displaying neuroprotective activity. The objective of this randomized, double-blind 2-part study was to test safety and pharmacokinetics of OCS-05 administered by intravenous (i.v.) infusion in healthy volunteers. Subjects (n = 48) were assigned to receive placebo (n = 12) or OCS-05 (n = 36). , Doses tested were 0.05, 0.2, 0.4, 0.8, 1.6, 2.4 and 3.2 mg/kg in the single ascending dose (SAD) part. In the multiple ascending dose (MAD) part, 2.4 and 3.0 mg/kg doses were administered with 2 h i.v. infusion for 5 consecutive days. Safety assessments included adverse events, blood tests, ECG, Holter monitoring, brain MRI and EEG. No serious adverse events were reported in the OCS-05 group (there was one serious adverse event in the placebo group). Adverse events reported in the MAD part were not clinically significant, and no changes on the ECG, EEG or brain MRI were observed. Single-dose (0.05–3.2 mg/kg) exposure (Cmax and AUC) increased in a dose-proportional manner. Steady state was reached by Day 4 and no accumulation was observed. Elimination half-life ranged from 3.35 to 8.23 h (SAD) and 8.63 to 12.2 h (MAD). Mean individual Cmax concentrations in the MAD part were well below the safety thresholds. OCS-05 administered as 2-h i.v. infusions of multiple doses up to 3.0 mg/Kg daily for up to 5 consecutive days was safe and well tolerated. Based on this safety profile, OCS-05 is currently being tested in a phase 2 trial in patient with acute optic neuritis (NCT04762017, date registration 21/02/2021).
Dietary riboflavin intake in relation to psychological disorders in Iranian adults: an observational study
Authors: Rouhani Parisa , Amoushahi Mohammad , Keshteli Ammar Hassanzadeh , Saneei Parvane , Afshar Hamid , Esmaillzadeh Ahmad , Adibi Peyman
Published: March 2023

Findings of earlier investigations on association between dietary riboflavin intake and psychological disorders are contradictory. Therefore, the relation between dietary riboflavin intake and depression, anxiety, and psychological distress was assessed in Iranian adults. In this cross-sectional study, dietary intakes of 3362 middle-aged adults were collected using a validated dish-based food frequency questionnaire. Daily intake of riboflavin for each participant was calculated by summing up the amount of riboflavin contents of all foods and dishes. Hospital Anxiety and Depression Scale (HADS) and General Health Questionnaire (GHQ), as validated questionnaires among Iranians, have been applied to assess depression, anxiety, and psychological distress. After considering potential confounders, adults in the top energy-adjusted quartile of riboflavin intake, compared to the bottom quartile, had decreased odds of depression (OR = 0.66; 95%CI 0.49, 0.88), anxiety (OR = 0.64; 95%CI 0.44, 0.94) and high psychological distress (OR = 0.65; 95%CI 0.48, 0.89). Stratified analysis by sex revealed that men in the forth quartile of riboflavin intake, compared with those in the first quartile, had respectively 51 and 55% lower odds of depression (OR = 0.49; 95%CI 0.29, 0.83) and anxiety (OR = 0.45; 95%CI 0.21, 0.95). In women, riboflavin intake was significantly associated with lower odds of psychological distress (OR = 0.67; 95%CI 0.46, 0.98). An inverse relation was observed between dietary riboflavin intake and chance of psychological disorders in Iranian adults. High intake of riboflavin decreased the chance of depression and anxiety in men and high psychological distress in women. More prospective studies are needed to confirm these findings.
Experimental study on tilting deformation and a new method for landslide prediction with retaining-wall locked segment
Authors: Liu Han-dong , Liu Jing-jing , Chen Jia-xing , Guo Zhi-fei , Qiu Lei
Published: March 2023

The destruction of the locked-segment type landslide is often accompanied by the destruction of the locked segment with cumulative effects. Investigating the failure mode and instability mechanism of locked-segment type landslides is crucial. The study uses physical models to examine the evolution of locked-segment type landslides with retaining-walls. It utilizes a variety of instruments (tilt sensors, micro earth pressure sensors, pore water pressure sensors, strain gauges, and others) to conduct physical model tests of locked-segment type landslide with retaining-wall and to reveal the tilting deformation and evolution mechanism of retaining-wall locked landslide under the condition of rainfall. The results showed that the regularity of tilting rate, tilting acceleration, strain, and stress change in the retaining-wall locked segment is consistent with the landslide evolution process, indicating that tilting deformation can be used as the criterion of landslide instability and that the locked segment plays a vital role in controlling the landslide stability. The tertiary creep stages of tilting deformation are divided into initial, medium, and high tertiary creep stages using an improved angle tangent method. This establishes the failure criterion for locked-segment type landslides with tilting angles of 0.34°, 1.89°, and 4.38°. In addition, the tilting deformation curve of a locked-segment type landslide with a retaining-wall is utilized to predict the landslide instability by the reciprocal velocity method.
Multimodal deep learning to predict prognosis in adult and pediatric brain tumors
Authors: Steyaert Sandra , Qiu Yeping Lina , Zheng Yuanning , Mukherjee Pritam , Vogel Hannes , Gevaert Olivier
Published: March 2023

Background

The introduction of deep learning in both imaging and genomics has significantly advanced the analysis of biomedical data. For complex diseases such as cancer, different data modalities may reveal different disease characteristics, and the integration of imaging with genomic data has the potential to unravel additional information than when using these data sources in isolation. Here, we propose a DL framework that combines these two modalities with the aim to predict brain tumor prognosis.

Methods

Using two separate glioma cohorts of 783 adults and 305 pediatric patients we developed a DL framework that can fuse histopathology images with gene expression profiles. Three strategies for data fusion were implemented and compared: early, late, and joint fusion. Additional validation of the adult glioma models was done on an independent cohort of 97 adult patients.

Results

Here we show that the developed multimodal data models achieve better prediction results compared to the single data models, but also lead to the identification of more relevant biological pathways. When testing our adult models on a third brain tumor dataset, we show our multimodal framework is able to generalize and performs better on new data from different cohorts. Leveraging the concept of transfer learning, we demonstrate how our pediatric multimodal models can be used to predict prognosis for two more rare (less available samples) pediatric brain tumors.

Conclusions

Our study illustrates that a multimodal data fusion approach can be successfully implemented and customized to model clinical outcome of adult and pediatric brain tumors.
Adaptive fisheries responses may lead to climate maladaptation in the absence of access regulations
Authors: Beckensteiner Jennifer , Boschetti Fabio , Thébaud Olivier
Published: March 2023

Adaptive fishery responses to climate-induced changes in marine fish populations may lead to fishery maladaptation. Using a stylised bio-economic model of the global fishery, we demonstrate the importance of adaptive management regimes. We show how the losses resulting from poor access regulation increase in a fishery system negatively impacted by environmental change, and demonstrate the proportional benefits provided by management strategies that control the levels and allocation of fishing effort. Indeed, under poor to nonexistent access regulation, highly adaptive actors can generate significant bio-economic losses. This might lead to foregone benefits and cascading economic and ecological losses, whereas well-designed adaptive management regimes may enable making the most of the best, and the least of the worst, climate-induced outcomes for fisheries. These findings emphasize the need for integrated assessment approaches to the impacts of climate change on fisheries, that should incorporate not only ecological responses but also the industry and management responses.
The Chemical Biology of Carbon
Authors: Walsh Christopher T
Published: March 2023

Building upon the previous volumes, The Chemical Biology of Sulfur, The Chemical Biology of Phosphorus, and The Chemical Biology of Nitrogen, this book examines the organic chemistry of life, The Chemical Biology of Carbon. It examines chemical biology open to carbon-containing natural metabolites that allow both retrospective and predictive behaviours of both biosynthetic and degradative metabolism in primary and secondary pathways. This book also notes the centrality of a core set of heterocycles in metabolites and coenzyme forms of vitamins and how that chemistry enables life. The organic chemical fundamental considerations are always tied to specific metabolites and metabolic transformations. This context makes this volume not a classical organic or even bioorganic approach to organic chemistry in vivo but instead a unique analysis of how the rules and reactivities of organic chemistry underlie the organic chemistry of life. The Chemical Biology of Carbon is an ideal reference and guide for medicinal chemists, chemical biologists, organic chemists as well as postgraduate, graduate and advanced undergraduate students in these areas and related disciplines.
Hydrogels for dermal and transdermal drug delivery
Authors: Labie Hélène , Blanzat Muriel
Published: March 2023

A review on hydrogels as drug delivery systems and as pharmaceutical forms associated with nanovectors for dermal and transdermal drug delivery.
Machine learning transferable atomic forces for large systems from underconverged molecular fragments
Authors: Herbold Marius , Behler Jörg
Published: March 2023

Molecular fragments of metal–organic frameworks can be used to construct high-dimensional neural network potentials. Here we provide a recipe of how the smallest possible fragments can be chosen that still provide a HDNNP transferable to the bulk crystal.
Influence of reduction temperature on Pt–ZrO2 interfaces for the gas-phase hydrogenation of acetone to isopropanol
Authors: Liu Kun , Zhang Tingting , Liu Xiaodong , Wang Tingyu , Su Yan , Wang Hong , Sun Liping , Cao Xiaoqun , Bi Yushui , Wang Kaiqi , Zhang Li
Published: March 2023

Pt/ZrO2 reduced at 200 °C offers higher Ov and Pt0 contents, thus leading to excellent acetone hydrogenation activity.
Aggregation of phosphorescent Pd(ii) and Pt(ii) complexes with lipophilic counter-anions in non-polar solvents
Authors: Zhou Ning , Zou Chao , Suo Sa , Liu Yuliang , Lin Jinqiang , Zhang Xiaobao , Shi Minglin , Chang Xiaoyong , Lu Wei
Published: March 2023

Phosphorescent isostructural Pd(ii) and Pt(ii) aggregates involving metallophilic interactions in nonpolar achiral/chiral solvents have been extensively studied.
Enhanced electrically and thermally conductive free-standing graphene films with two-dimensional copper sheets as the catalyst and bridge
Authors: Ye Huangqing , Chen Jiahui , Hu Yougen , Li Yunming , Wang Yu , Fu Xian-Zhu , Sun Rong
Published: March 2023

Two-dimensional copper sheets were introduced as the catalyst and bridge to enhance the electrical and thermal conductivity of graphene films prepared from graphene oxide nanosheets via a thermal reduction method.
Optimizing metal/n-AlGaN contact by recessed AlGaN heterostructure with a polarization effect
Authors: Chen Yuxuan , Jiang Ke , Sun Xiaojuan , Zhang Zi-Hui , Zhang Shanli , Ben Jianwei , Wang Bingxiang , Guo Long , Li Dabing
Published: March 2023

A convenient and stable strategy is proposed to optimize the contact characteristics of metal/n-AlGaN by introducing a heterostructure with a polarization effect and etching a recess structure through the heterostructure beneath the contact metal.
Defect-free graphene enhances enzyme delivery to fibroblasts derived from patients with lysosomal storage disorders
Authors: Chen Yingxian , Taufiq Tooba , Zeng Niting , Lozano Neus , Karakasidi Angeliki , Church Heather , Jovanovic Ana , Jones Simon A. , Panigrahi Adyasha , Larrosa Igor , Kostarelos Kostas , Casiraghi Cinzia , Vranic Sandra
Published: March 2023

Biocompatible cationic graphene flakes efficiently complex and deliver the enzyme to the lysosomes of the fibroblasts derived from the patients with Mucopolysaccharidosis VI, leading to enhanced degradation of the accumulated lysosomal substrate.
A SmNiO3 memristor with artificial synapse function properties and the implementation of Boolean logic circuits
Authors: Li Lei , Yu Dongqing , Wei Yiheng , Sun Yong , Zhao Jianhui , Zhou Zhenyu , Yang Jie , Zhang Zichang , Yan Xiaobing
Published: March 2023

We report a W/SNO/LSMO/STO memristor with synaptic function. It can be integrated with LIF neurons to build Boolean logic gate circuits.
How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights
Authors: Bhati Manav , Ivanov Sergei A. , Senftle Thomas P. , Tretiak Sergei , Ghosh Dibyajyoti
Published: March 2023

Ab initio molecular dynamics calculations on non-stoichiometric QDs reveal that dynamic Se atoms influences optical modes and HOMO fluctuations to the greatest extent, thereby weaking photoluminescence in Se-rich QDs compared to Cd-rich QDs.
Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4′-di-O-glycosyltransferase from Ziziphus jujuba var. spinosa
Authors: Wang Zi-Long , Wei Wanqing , Wang Hai-Dong , Zhou Jia-Jing , Wang Hao-Tian , Chen Kuan , Wang Rong-Shen , Li Fu-Dong , Qiao Xue , Zhou Huan , Liang Yong , Ye Min
Published: March 2023

We report a promiscuous flavonoid 7,4′-di-O-glycosyltransferase (ZjOGT3), which shows high catalytic efficiency and regio-selectivity. And the regio-selectivity of ZjOGT3 was controlled by intrinsic reactivity and the enzyme microenvironment.
Positive, negative and controlled durotaxis
Authors: Sáez P. , Venturini C.
Published: March 2023

Durotaxis is a physical process central to life, including embryogenesis, tissue regeneration, and tumor growth. This work proposes a mechanistic rationale for durotaxis based on the clutch hypothesis and active gels.
Fast and simple analysis of the content of Zn, Mg, Ca, Na, and K in selected beverages widely consumed by athletes by flowing liquid cathode atmospheric pressure glow discharge optical emission spectrometry
Authors: Gorska Monika , Weiss Joanna , Pohl Pawel
Published: March 2023

A novel atmospheric pressure glow discharge (APGD) microplasma system was applied for the determination of Zn, Mg, Ca, Na, and K in selected beverages by optical emission spectrometry (OES), with a simplified sample preparation procedure.
DMSO/tBuONa/O2-mediated efficient syntheses of diverse quinoxalines through α-imino radicals
Authors: Zhang Chihong , Zhang Zhen , Wang Deliang , Wang Wenkun , Jin Bo , Wen Tao , Ye Lihua , Chen Zhong-Ning , Cai Hu
Published: March 2023

A novel direct construction of C–N bonds for efficient synthesis of diverse quinoxalines by α-imino radicals.
Straight and twisted open nodal-line phonon states in the CaI2 family of materials
Authors: Wu Meng-Xin , Ma Da-Shuai , Yang Tie , Wei Yu-Hao , Chai Ke , Wang Peng , Wang Biao , Kuang Min-Quan
Published: March 2023

Based on first-principles calculations and symmetry analysis, we propose that trigonal CaI2 with the space group P3̄m1 possesses straight and twisted open nodal-line phonon states with linear dispersion.
2D boron nitride supported Cu2O promotes photocatalytic nitrogen fixation at normal temperature and pressure
Authors: Chen Liangchen , Liu Min , Chen Yutong , Zhu Shouxin , Sun Can , Tu Xuewei , Zheng Hui
Published: March 2023

Boron nitride (BN) semiconductors, as graphene analogues, have attracted extensive attention in the field of photocatalysis due to their unique physical and chemical properties.
Investigating the interactions of flavonoids with human OATP2B1: inhibition assay, IC50 determination, and structure–activity relationship analysis
Authors: Peng Taotao , Liu Shuai , Li Ying , Zhang Hongjian , Hagenbuch Bruno , Gui Chunshan
Published: March 2023

A fluorescence- and cell-based inhibition assay was performed to investigate the interaction of 29 common flavonoids with OATP2B1, upon which the favorable/unfavorable structural features for the binding of flavonoids with OATP2B1 have been deduced.
Correction: First principles study of electronic properties and optoelectronic performance of type-II SiS/BSe heterostructure
Authors: Sabir Shah Saleemullah , Din H. U. , Alam Q. , Idrees M. , Amin Bin , Khan W. , Farooq M. , Nguyen Cuong Q. , Nguyen Chuong V.
Published: March 2023

Correction for ‘First principles study of electronic properties and optoelectronic performance of type-II SiS/BSe heterostructure’ by Shah Saleemullah Sabir et al., New J. Chem., 2023, 47, 4537–4542, https://doi.org/10.1039/D2NJ06198H.
Design of Raman reporter-embedded magnetic/plasmonic hybrid nanostirrers for reliable microfluidic SERS biosensors
Authors: Zou Bingfang , Lou Shiyun , Duan Jie , Zhou Shaomin , Wang Yongqiang
Published: March 2023

Raman Reporter-embedded magnetic/plasmonic nanostirrers are developed as capture carrier of microfluidic SERS sensor, where reliable SERS nanoprobe signals could be filtered out by using SERS signals from nanostirrers as microenvironment beacons.
Plasmonic magnesium nanoparticles decorated with palladium catalyze thermal and light-driven hydrogenation of acetylene
Authors: Lomonosov Vladimir , Wayman Thomas M. R. , Hopper Elizabeth R. , Ivanov Yurii P. , Divitini Giorgio , Ringe Emilie
Published: March 2023

Plasmonic Mg cores capture light to decrease the activation energy and increase the rate of acetylene hydrogenation on Pd nanoparticles.
The effect of side chain spacer length on the thermoresponsive behaviour of poly(methylamide acrylate)s
Authors: Rajakanthan Alexander , Wilson Paul , Kempe Kristian
Published: March 2023

Aqueous solubility of poly(methylamide acrylate)s can be altered via modulation of the side chain spacer length between the polymer backbone and pendant amide functionality whereby a butyl spacer is sufficient to induce LCST behaviour (P(MAmBA)).
Dynamic readout of optical information based on the color-tunable emitting electron-trapping material BaAl12O19:Eu2+ toward high security level optical data storage and anticounterfeiting
Authors: Wu Junxiao , Zhao Lei , Chen Wenbo , Yang Youlin , Wang Yifan , Xu Xuhui
Published: March 2023

Dynamic readout of optical information based on color tunable TSL is realized.
Enantioselective synthesis of chiral sulfones by hydrogen-bonding/organophotoredox co-catalyzed asymmetric sulfonylation
Authors: Chen Jian-Qiang , Li Qiangwei , Xie Wenlin , Wu Jie
Published: March 2023

We report an enantioselective sulfonylation of α,β-unsaturated carbonyl compounds with 4-alkyl substituted Hantzsch esters and DABCO·(SO2)2 by interfacing photoredox and hydrogen bonding catalysis.
Investigation of structural, morphological, and electrical conductivity study for understanding transport mechanisms of perovskite CH3NH3HgCl3
Authors: Gharbi Imen , Oueslati Abderrazek , Ates Ayten , Mahmoud Abdelfattah , Zaghrioui Mustapha , Gargouri Mohamed
Published: March 2023

Along with morphological and structural studies, the temperature and frequency dependence of the electrical and dielectric properties of the CH3NH3HgCl3 (MATM) compound was investigated and analyzed.
Electrochemical interface based on polydopamine and gold nanoparticles/reduced graphene oxide for impedimetric detection of lung cancer cells
Authors: Linh Nguyen Dieu , Huyen Nguyen Thi Trang , Dang Nguyen Hai , Piro Benoit , Thi Thu Vu
Published: March 2023

Non-invasive approaches for monitoring therapy processes in cancer patients at late stages is truly needed.
Retraction: Fabrication of divalent ion substituted hydroxyapatite/gelatin nanocomposite coating on electron beam treated titanium: mechanical, anticorrosive, antibacterial and bioactive evaluations
Authors: Karthika A. , Kavitha L. , Surendiran M. , Kannan S. , Gopi D.
Published: March 2023

Retraction of ‘Fabrication of divalent ion substituted hydroxyapatite/gelatin nanocomposite coating on electron beam treated titanium: mechanical, anticorrosive, antibacterial and bioactive evaluations’ by A. Karthika et al., RSC Adv., 2015, 5, 47341–47352, https://doi.org/10.1039/C5RA05624A.
Retraction: Investigation of anticorrosive, antibacterial and in vitro biological properties of a sulphonated poly(etheretherketone)/strontium, cerium co-substituted hydroxyapatite composite coating developed on surface treated surgical grade stainless steel for orthopedic applications
Authors: Rajeswari D. , Gopi D. , Ramya S. , Kavitha L.
Published: March 2023

Retraction of ‘Investigation of anticorrosive, antibacterial and in vitro biological properties of a sulphonated poly(etheretherketone)/strontium, cerium co-substituted hydroxyapatite composite coating developed on surface treated surgical grade stainless steel for orthopedic applications’ by D. Rajeswari et al., RSC Adv., 2014, 4, 61525–61536. https://doi.org/10.1039/C4RA12207K.
Engineering fluorescent protein chromophores with an internal reference for high-fidelity ratiometric G4 imaging in living cells
Authors: Han Jiao-Na , Zhong Caijun , Ge Mingmin , Kuang Shi , Nie Zhou
Published: March 2023

G-quadruplexes (G4s) are significant nucleic acid secondary structures formed by guanine-rich sequences.
A focus on coordination chemistry at chlorine
Authors: Dutton Jason L.
Published: March 2023

A highlight of the recent report on the remarkable outcomes of the seemingly simple reaction of pyridines with chlorine gas.
Both sides matter: anode configurations alter the activity of electrolyzers for organic hydrogenations
Authors: Pellumbi Kevinjeorjios , Wolf Jonas , Viswanathan Sangita Conjeevaram , Wickert Leon , Kräenbring Mena-Alexander , Kleinhaus Julian T. , junge Puring Kai , Özcan Fatih , Segets Doris , Apfel Ulf-Peter , Siegmund Daniel
Published: March 2023

The compression between the electrodes, choice of the anode transport layer, membrane and MEA configuration, all strongly interplay with each other, influencing both electrocatalytic activity and selectivity of the cathodic hydrogenation reaction.
Capillary-induced self-crumpled and sulfur-deficient MoS2 nanosheets inhibit polysulfide cycling in lithium–sulfur batteries
Authors: Paste Rohan , Li Shenghan , Fu Jui-Han , Chiang Yu-Hsiang , Inamdar Arif I. , Chiang Ming-Hsi , Tung Vincent , Lin Hong-Cheu , Chu Chih Wei
Published: March 2023

Unique c-MoS2 nanosheets with corrugated edges mitigate the suppression of LiPSs and assist to reutilize them to boost the electrochemical kinetics in the Li–S battery.
Molecular co-assembly of multicomponent peptides for the generation of nanomaterials with improved peroxidase activities
Authors: Zhang Yehao , Li Xinming
Published: March 2023

Supramolecular assemblies with biomimetic structural features of hemin pockets within native peroxidases and improved catalytic activities were created from co-assembly of multicomponent peptides.
Fluorinated- and non-fluorinated-diarylamine-Zn(ii) and Cu(ii) phthalocyanines as symmetrical vs. asymmetrical hole selective materials
Authors: Hernández Adrián , Hemasiri Naveen Harindu , Kazim Samrana , Ortiz Javier , Ahmad Shahzada , Sastre-Santos Ángela
Published: March 2023

Four symmetrically substituted and four asymmetrically substituted fluorinated and non-fluorinated-diarylamine CuPcs and ZnPcs have been designed and utilized as hole transporting materials in perovskite solar cells.
Development of a deep-blue exciplex as an emitter and a host for highly efficient and wide-color OLEDs
Authors: Xia Qing , Xiang Yuhao , Gong Yujie , Li Shuai , Wu Yishi , Wang Zhijia , Fu Hongbing
Published: March 2023

A deep-blue exciplex with thermally activated delayed fluorescence (TADF) at 444 nm enabled organic light-emitting diodes (OLEDs) with CIE coordinates of (0.152, 0.075) and EQE up to 4.83%, meanwhile, which can also serve as a co-host for wide color phosphorescent OLEDs.
White-light emitting multi-lanthanide terephthalate thin films by atomic/molecular layer deposition
Authors: Ghazy Amr , Lastusaari Mika , Karppinen Maarit
Published: March 2023

ALD/MLD enables multi-lanthanide organic thin films in which different lanthanide species are optimally combined through organic linkers to yield warm white light photoluminescence.
An in situ LiF-enriched solid electrolyte interphase from CoF2-decorated N-doped carbon for dendrite-free Li metal anodes
Authors: Jin Xiaopan , Huang Gaoxu , Zhao Xianming , Chen Guoli , Guan Mengjia , Li Yongsheng
Published: March 2023

We have prepared CoF2 decorated N-doped carbon via a convenient fluoridation treatment after the carbonation of ZIF-67 precursor, which was employed as a lithiophilic host for enabling homogeneous Li electrodeposition.
A special issue ofEssays in Biochemistryon structural mass spectrometry
Authors: Britt Hannah M. , Beveridge Rebecca , Calabrese Antonio N.
Published: March 2023

Mass spectrometry (MS) is now established as an analytical tool to interrogate the structure and dynamics of proteins and their assemblies. An array of MS-based technologies has been developed, with each providing unique information pertaining to protein structure, and forming the heart of integrative structural biology studies. This special issue includes a collection of review articles that discuss both established and emerging structural MS methodologies, along with examples of how these technologies are being deployed to interrogate protein structure and function. Combined, this collection highlights the immense potential of the structural MS toolkit in the study of molecular mechanisms underpinning cellular homeostasis and disease.
Cochlear Implant Decision Making for Children With Residual Hearing: Perspectives of Practitioners
Authors: Na Eunjung , Toupin-April Karine , Olds Janet , Noll Dorie , Fitzpatrick Elizabeth M.
Published: March 2023

Purpose:

Cochlear implants (CIs) are increasingly considered for children with residual hearing who benefit from hearing aids (HAs). However, the decision-making process for families of these children and for practitioners is particularly challenging because there is no clear audiological cut point for CI candidacy. This study aimed to understand Canadian practitioners' perspectives of the CI decision-making process and how they guide families of children with residual hearing.

Method:

Semistructured interviews were conducted with a total of 17 practitioners through four focus groups and one individual interview. Interviews were transcribed verbatim, and a thematic analysis was carried out.

Results:

Data were organized into five broad domains: candidacy issues for children with residual hearing, practitioners' roles in decision support, additional considerations affecting decision making, factors facilitating decision making, and practitioners' needs.

Conclusions:

This study found that practitioners' confidence in determining candidacy and supporting parents has increased due to their experiences with positive outcomes for these children. Practitioners indicated that there was a need for more research to guide the decision-making process.
Psychometrically Equivalent Fante Speech Recognition Threshold Materials by a Female Talker
Authors: Honu-Mensah Cyril Mawuli , Offei Yaw Nyadu , Owusu Nana Akua Victoria , Anim-Sampong Samuel
Published: March 2023

Purpose:

This study aimed to create and evaluate digitally recorded speech materials for speech recognition threshold (SRT) testing among children and adults in Fante. Fifty-one (51) familiar trisyllabic words were chosen from a list of 107 widely used trisyllabic Fante words. They were digitally captured and edited to create the same root mean square as a 1-kHz calibration tone.

Method:

The study used a three-phase cross-sectional study method. Twenty native Fante speakers with normal hearing thresholds were selected at random for listener evaluation. For each of the words, the researchers used logistic regression to measure the slope, intercepts, and psychometric function slope at 50% and from 20% to 80%. In the study, the intensity of each word was modified digitally, so that the threshold at 50% of each word was equal to the mean pure-tone average (PTA) of the participants to increase the homogeneity of the thresholds of the selected words.

Results:

A final list of 25 familiar homogenous words with the same tone patterns of slopes greater than 7%/dB was finally selected and recorded for speech audiometry in Fante.

Conclusions:

Psychometrically equivalent trisyllabic words in Fante were successfully developed and evaluated for SRT testing in Ghana. There is a need for the development of speech audiometry materials in other Ghanaian languages.
Collision and obstacle avoidance for agents based on velocity programming in unknown environments under kinematical constraints
Authors: Xiong Zhigang , Luo Yasong , Liu Zhong , Zhang Jianqiang , Liu Zhikun
Published: March 2023

This paper conducts research on obstacle and collision avoidance under kinematical constraints in unknown environments, while communication and simultaneous localization and mapping (SLAM) are unavailable to agents. Then a strategy based on mixed‐integer programming is proposed, in which velocity constraints are established with a modified Barrier function for obstacles that can be completely detected. As for obstacles that cannot be completely detected, a feasible set is built for the velocity programming based on the convex theory, and the contradicted constraints are addressed with the logic metric method. Besides, the actuator saturation is avoided by converting kinematical constraints into the restrictions on the magnitude, the restrictions on the direction, and the negative correlations between the components of the velocity respectively. Given that invalid nominal velocity leads to collisions, a virtual goal is estimated for nominal velocity improvement. In addition, the local extremum brought by empty programming space due to multiple constraints is repaired by fixing the velocity constraints. The feasibility of the proposed strategy is analyzed, and numerical simulations are provided to verify the effectiveness of the proposed strategy.
Optimal coordination of distance relays and non‐standard characteristics for directional overcurrent relays using a modified African vultures optimization algorithm
Authors: Korashy Ahmed , Kamel Salah , Jurado Francisco , Eslami Mahdiyeh
Published: March 2023

Here, an improved version of an African vultures optimization algorithm (AVOA), known as MAVOA is applied to solve the coordination issue between distance relays and directional overcurrent relays (DOCRs). The suggested method enhances the balance between exploration and exploitation features for the AVOA algorithm in order to find the optimal DOCR settings and operating time for zone‐2 distance relays. In 8‐bus, IEEE 30‐bus, and IEEE 39‐bus networks, the ability of the MAVOA technique to find the optimal solution for the coordination between DOCRs and distance relays is evaluated. Both MAVOA and AVOA algorithms are assessed in the case of standard and non‐standard DOCR characteristic curves. The results indicate the significant superiority of the suggested MAVOA algorithm in solving the coordination issue of the combined DOCR and distance relays. The reduction in operating time for DOCRs and zone‐2 of distance relays decreased by about 30% compared to the conventional AVOA technique. The results also prove the MAVOA's superiority over the recently developed algorithm and other algorithms in solving the coordination problem of the combined DOCRs and distance relays. Additionally, the total operating time for the non‐standard characteristic curve for DOCRs results in a reduction of the overall operating time of primary relays of more than 15%.
A comprehensive review of reliability assessment methodologies for grid‐connected photovoltaic systems
Authors: Singh Smriti , Saket R. K. , Khan Baseem
Published: March 2023

This paper provides a comprehensive review of the research work related to Reliability Assessment Methodologies for grid‐connected photovoltaic (PV) systems performed in recent literature. Solar power is emerging as the fast growing source of energy in the world as a result of rising environmental concerns regarding the hazards of climatic change linked with the production of electricity using fossil fuels. Although PV systems can support small businesses and households on their own, many people prefer a grid‐connected PV system (PVS) because of the net profit it provides. Grid‐integrated PV system, however, comes with many reliability issues. Evaluating the reliability of grid‐integrated photovoltaic system is thus an important area of research. The article presents a critical survey of the state‐of‐art technologies for assessing the reliability of a PV system. Issues related to the reliability of the grid‐integrated PVS are spotted along with the solution techniques. Reliability indices for analyzing the PVS performance are also discussed.
A state-of-the-art strong-lensing model of MACS J0416.1−2403 with the largest sample of spectroscopic multiple images
Authors: Bergamini P. , Grillo C. , Rosati P. , Vanzella E. , Meštrić U. , Mercurio A. , Acebron A. , Caminha G. B. , Granata G. , Meneghetti M. , Angora G. , Nonino M.
Published: March 2023

The combination of multi-band imaging from the Hubble Space Telescope with Multi-Unit Spectroscopic Explorer integral field spectroscopy, obtained at the Very Large Telescope, has recently driven remarkable progress in strong-lensing (SL) modeling of galaxy clusters. From a few tens of multiple images with photometric redshifts per cluster, a new generation of high-precision SL models have recently been developed by exploiting in some cases over a hundred spectroscopically confirmed multiple images and cluster member galaxies. A further step forward is expected with James Webb Space Telescope observations of SL clusters (from hundreds of multiple images to possibly a thousand). In this context, we present a new state-of-the-art SL model of the galaxy cluster MACS J0416.1−2403, utilizing 237 spectroscopically confirmed multiple images, which is the largest sample of secure multiply-lensed sources utilized to date. In addition, this model incorporates stellar kinematics information of 64 cluster galaxies and the hot-gas mass distribution of the cluster, determined from Chandra X-ray observations. The observed positions of the many multiple images are reproduced with a remarkable average accuracy of 0.43″. To further assess the reliability of this lens model and to highlight the improvement over previously published models, we show the extended surface brightness reconstruction of several lensed galaxies through a newly developed forward modeling software. The comparison with other SL models of the same cluster demonstrates that this new model is better able to accurately reproduce the positions, shapes, and fluxes of the observed multiple images. In addition to a robust characterization of the total mass distribution of the cluster, our model can provide accurate and precise magnification maps that are key to studying the intrinsic physical properties of faint high-redshift lensed sources. The model is made publicly available through our newly developed Strong Lensing Online Tool (SLOT); thanks to a simple graphical interface SLOT allows astronomers (including lensing non-experts) to take full advantage of the predictive power of the model, including statistical uncertainties on the relevant quantities associated with the multiply-lensed sources.
StarHorse results for spectroscopic surveys and Gaia DR3: Chrono-chemical populations in the solar vicinity, the genuine thick disk, and young alpha-rich stars
Authors: Queiroz A. B. A. , Anders F. , Chiappini C. , Khalatyan A. , Santiago B. X. , Nepal S. , Steinmetz M. , Gallart C. , Valentini M. , Dal Ponte M. , Barbuy B. , Pérez-Villegas A. , Masseron T. , Fernández-Trincado J. G. , Khoperskov S. , Minchev I. , Fernández-Alvar E. , Lane R. R. , Nitschelm C.
Published: March 2023

The Gaia mission has provided an invaluable wealth of astrometric data for more than a billion stars in our Galaxy. The synergy between Gaia astrometry, photometry, and spectroscopic surveys gives us comprehensive information about the Milky Way. Using the Bayesian isochrone-fitting code StarHorse, we derive distances and extinctions for more than 10 million unique stars listed in both Gaia Data Release 3 and public spectroscopic surveys: 557 559 in GALAH+ DR3, 4 531 028 in LAMOST DR7 LRS, 347 535 in LAMOST DR7 MRS, 562 424 in APOGEE DR17, 471 490 in RAVE DR6, 249 991 in SDSS DR12 (optical spectra from BOSS and SEGUE), 67 562 in the Gaia-ESO DR5 survey, and 4 211 087 in the Gaia RVS part of the Gaia DR3 release. StarHorse can increase the precision of distance and extinction measurements where Gaia parallaxes alone would be uncertain. We used StarHorse for the first time to derive stellar ages for main-sequence turnoff and subgiant branch stars, around 2.5 million stars, with age uncertainties typically around 30%; the uncertainties drop to 15% for subgiant-branch-only stars, depending on the resolution of the survey. With the derived ages in hand, we investigated the chemical-age relations. In particular, the α and neutron-capture element ratios versus age in the solar neighbourhood show trends similar to previous works, validating our ages. We used the chemical abundances from local subgiant samples of GALAH DR3, APOGEE DR17, and LAMOST MRS DR7 to map groups with similar chemical compositions and StarHorse ages, using the dimensionality reduction technique t-SNE and the clustering algorithm HDBSCAN. We identify three distinct groups in all three samples, confirmed by their kinematic properties: the genuine chemical thick disk, the thin disk, and a considerable number of young alpha-rich stars (427) that are also a part of the delivered catalogues. We confirm that the genuine thick disk’s kinematics and age properties are radically different from those of the thin disk and compatible with high-redshift (z ≈ 2) star-forming disks with high dispersion velocities. We also find a few extra chemical populations in GALAH DR3 thanks to the availability of neutron-capture element information.
Spin and orbital dynamics of planets undergoing thermal atmospheric tides using a vectorial approach
Authors: Valente Ema F. S. , Correia Alexandre C. M.
Published: March 2023

Earth-mass planets are expected to have atmospheres and experience thermal tides raised by the host star. These tides transfer energy to the planet that can counter the dissipation from bodily tides. Indeed, even a relatively thin atmosphere can drive the rotation of these planets away from the synchronous state. Here we revisit the dynamical evolution of planets undergoing thermal atmospheric tides. We use a novel approach based on a vectorial formalism, which is frame independent and valid for any configuration of the system, including any eccentricity and obliquity values. We provide the secular equations of motion after averaging over the mean anomaly and the argument of the pericenter, which are suitable to model the long-term spin and orbital evolution of the planet.
Designing wavelength sampling for Fabry–Pérot observations
Authors: Díaz Baso C. J. , Rouppe van der Voort L. , de la Cruz Rodríguez J. , Leenaarts J.
Published: March 2023

Context. Fabry–Pérot interferometers (FPIs) have become very popular in solar observations because they offer a balance between cadence, spatial resolution, and spectral resolution through a careful design of the spectral sampling scheme according to the observational requirements of a given target. However, an efficient balance requires knowledge of the expected target conditions, the properties of the chosen spectral line, and the instrumental characteristics.

Aims. Our aim is to find a method that allows the optimal spectral sampling of FPI observations in a given spectral region to be found. The selected line positions must maximize the information content in the observation with a minimal number of points.

Methods. In this study, we propose a technique based on a sequential selection approach in which a neural network is used to predict the spectrum (or physical quantities, if the model is known) from the information at a few points. Only those points that contain relevant information and improve the model prediction are included in the sampling scheme.

Results. We have quantified the performance of the new sampling schemes by showing the lower errors in the model parameter reconstructions. The method adapts the separation of the points according to the spectral resolution of the instrument, the typical broadening of the spectral shape, and the typical Doppler velocities. The experiments that use the Ca II 8542 Å line show that the resulting wavelength scheme naturally places more points in the core than in the wings (by almost a factor of 4), consistent with the sensitivity of the spectral line at each wavelength interval. As a result, observations focused on magnetic field analysis should prioritize a denser grid near the core, while those focused on thermodynamic properties would benefit from a larger coverage. The method can also be used as an accurate interpolator to improve the inference of the magnetic field when using the weak-field approximation.

Conclusions. Overall, this method offers an objective approach for designing new instrumentation or observing proposals with customized configurations for specific targets. This is particularly relevant when studying highly dynamic events in the solar atmosphere with a cadence that preserves spectral coherence without sacrificing much information.
Importance of cross reaction covariance data for user applications
Authors: Griffin Patrick
Published: March 2023

The characterization of the uncertainty in radiation damage metrics presents many challenges. This paper examines the current approaches to characterizing radiation damage metrics such as hydrogen and helium gas production, material heating, trapped charge in microelectronics, and lattice displacement damage. Critical uncertainty aspects go beyond just the material cross sections and involve the consideration of energy-dependent cross reaction correlations, the recoil ion energy spectrum, and models used for the partitioning of the recoil ion energy into various forms of energy deposition. This paper starts with a review of terminology and then examines the current approaches in the characterization of uncertainty in radiation damage metrics for several applications. The major deficiencies in the uncertainty of the damage metric characterization are also identified.
Effect of correlation between cross sections and angular distributions in nuclear data of 63Cu on estimation of uncertainty of neutron penetration
Authors: Yamano Naoki , Inakura Tsunenori , Ishizuka Chikako , Chiba Satoshi
Published: March 2023

Uncertainty in neutron reaction rates after penetrating a 608mm-thick copper benchmark experiment performed by the FNS facility of JAEA was estimated based on two different kinds of the Total Monte Carlo methods under random sampling methodology. 500 random nuclear data files were generated for 63Cu by the T6 code system with perturbing underlying model parameters. In the first method, these files were used directly to yield processed library preserving all the correlations among different physical quantities. In the second method, the random files populated by T6 were used but the angular distribution data were kept fixed to the non-perturbed nominal ones. It was found that the two methods gave the same neutron reaction rate after the 608 mm penetration of a copper, however uncertainty of the second method was larger than that of the first method. It shows that the correlation between total cross section and angular distribution of elastic scattering at 0 degree, which stems from Wick’s inequality, affects uncertainty of the calculated neutron reaction rate. The result is consistent with the case of 28Si on deep penetration of thick concrete problem previously reported by the authors. It could be concluded that the uncertainty obtained by using the covariance files given in the ENDF-6 format may not give correct results for the uncertainty of neutron penetration calculation.