bluuebunny/crossref_metadata_2025 huggingface dataset:
Perovskite microcells fabricated using swelling-induced crack propagation for colored solar windows
Authors: Lee Woongchan , Yoo Young Jin , Park Jinhong , Ko Joo Hwan , Kim Yeong Jae , Yun Huiwon , Kim Dong Hoe , Song Young Min , Kim Dae-Hyeong
Published: April 2022

Perovskite microcells have a great potential to be applied to diverse types of optoelectronic devices including light-emitting diodes, photodetectors, and solar cells. Although several perovskite fabrication methods have been researched, perovskite microcells without a significant efficiency drop during the patterning and fabrication process could not be developed yet. We herein report the fabrication of high-efficiency perovskite microcells using swelling-induced crack propagation and the application of the microcells to colored solar windows. The key procedure is a swelling-induced lift-off process that leads to patterned perovskite films with high-quality interfaces. Thus, a power conversion efficiency (PCE) of 20.1 % could be achieved with the perovskite microcell, which is nearly same as the PCE of our unpatterned perovskite photovoltaic device (PV). The semi-transparent PV based on microcells exhibited a light utilization efficiency of 4.67 and a color rendering index of 97.5 %. The metal–insulator–metal structure deposited on the semi-transparent PV enabled to fabricate solar windows with vivid colors and high color purity.
Reprogrammed tracrRNAs enable repurposing of RNAs as crRNAs and sequence-specific RNA biosensors
Authors: Liu Yang , Pinto Filipe , Wan Xinyi , Yang Zhugen , Peng Shuguang , Li Mengxi , Cooper Jonathan M. , Xie Zhen , French Christopher E. , Wang Baojun
Published: April 2022

In type II CRISPR systems, the guide RNA (gRNA) comprises a CRISPR RNA (crRNA) and a hybridized trans-acting CRISPR RNA (tracrRNA), both being essential in guided DNA targeting functions. Although tracrRNAs are diverse in sequence and structure across type II CRISPR systems, the programmability of crRNA-tracrRNA hybridization for Cas9 is not fully understood. Here, we reveal the programmability of crRNA-tracrRNA hybridization for Streptococcus pyogenes Cas9, and in doing so, redefine the capabilities of Cas9 proteins and the sources of crRNAs, providing new biosensing applications for type II CRISPR systems. By reprogramming the crRNA-tracrRNA hybridized sequence, we show that engineered crRNA-tracrRNA interactions can not only enable the design of orthogonal cellular computing devices but also facilitate the hijacking of endogenous small RNAs/mRNAs as crRNAs. We subsequently describe how these re-engineered gRNA pairings can be implemented as RNA sensors, capable of monitoring the transcriptional activity of various environment-responsive genomic genes, or detecting SARS-CoV-2 RNA in vitro, as an Atypical gRNA-activated Transcription Halting Alarm (AGATHA) biosensor.
Multiomics implicate gut microbiota in altered lipid and energy metabolism in Parkinson’s disease
Authors: Pereira Pedro A. B. , Trivedi Drupad K. , Silverman Justin , Duru Ilhan Cem , Paulin Lars , Auvinen Petri , Scheperjans Filip
Published: April 2022

We aimed to investigate the link between serum metabolites, gut bacterial community composition, and clinical variables in Parkinson’s disease (PD) and healthy control subjects (HC). A total of 124 subjects were part of the study (63 PD patients and 61 HC subjects). 139 metabolite features were found to be predictive between the PD and Control groups. No associations were found between metabolite features and within-PD clinical variables. The results suggest alterations in serum metabolite profiles in PD, and the results of correlation analysis between metabolite features and microbiota suggest that several bacterial taxa are associated with altered lipid and energy metabolism in PD.
Global youth vaping and respiratory health: epidemiology, interventions, and policies
Authors: Lyzwinski Lynnette Nathalie , Naslund John A. , Miller Christopher J. , Eisenberg Mark J.
Published: April 2022

E-cigarette usage (also known as e-cigarettes or vaping products) has increasingly been recognized as a global public health problem. One challenge in particular involves their marketing to minors (teenagers and children) and the rising prevalence of use in this population. E-cigarettes unnecessarily expose minors to health risks, these include respiratory health problems, such as exacerbations of asthma, bronchitis, and respiratory-tract irritation. Nicotine, commonly found in e-cigarettes, is also associated with cognitive impairment and neurodevelopmental problems. E-cigarettes are also risk factors for downstream substance use, including cigarettes and cannabis initiation (the gateway hypothesis), which compounds health risks in dual users. Current public health preventative and intervention studies are limited, and there is a clear need for more interventions that may prevent usage and assist with cessation in this vulnerable population. Physician education and screening uptake should also be enhanced. Stricter public health policy and protection measures are also needed on a global scale to limit e-cigarette exposure in minors.
Elimination of receptor binding by influenza hemagglutinin improves vaccine-induced immunity
Authors: Hendin Hilary E. , Lavoie Pierre-Olivier , Gravett Jason M. , Pillet Stéphane , Saxena Pooja , Landry Nathalie , D’Aoust Marc-André , Ward Brian J.
Published: April 2022

The binding of influenza hemagglutinin (HA) to sialic acid (SA) receptors plays a well-defined role in shaping infection but the impact of such binding on vaccine responses has not yet been explored. We generated a virus-like particle (VLP) vaccine bearing the HA of H1N1 A/California/07/09 that is unable to bind to its α(2,6)-linked SA receptor (H1Y98F-VLP) and compared its immunogenicity and efficacy to a wild-type H1-VLP (H1WT-VLP) in mice. The H1Y98F-VLP elicited significantly stronger and more durable antibody responses (hemagglutination inhibition and microneutralization titers) and greater avidity maturation, likely attributable to improved germinal center formation. H1Y98F-VLP also resulted in a robust population of IL-2+TNFα+IFNγ− CD4+ T cells that correlated with antibody responses. Compared to H1WT-VLP vaccination, mice immunized with H1Y98F-VLP had 2.3-log lower lung viral loads and significantly lower pulmonary inflammatory cytokine levels 5 days post-challenge. These findings suggest that abrogation of HA-SA interactions may be a promising strategy to improve the quality and durability of influenza vaccine-induced humoral responses.
Aggresome assembly at the centrosome is driven by CP110–CEP97–CEP290 and centriolar satellites
Authors: Prosser Suzanna L. , Tkach Johnny , Gheiratmand Ladan , Kim Jaeyoun , Raught Brian , Morrison Ciaran G. , Pelletier Laurence
Published: April 2022

Protein degradation is critical to maintaining cellular homeostasis, and perturbation of the ubiquitin proteasome system leads to the accumulation of protein aggregates. These aggregates are either directed towards autophagy for destruction or sequestered into an inclusion, termed the aggresome, at the centrosome. Utilizing high-resolution quantitative analysis, here, we define aggresome assembly at the centrosome in human cells. Centriolar satellites are proteinaceous granules implicated in the trafficking of proteins to the centrosome. During aggresome assembly, satellites were required for the growth of the aggresomal structure from an initial ring of phosphorylated HSP27 deposited around the centrioles. The seeding of this phosphorylated HSP27 ring depended on the centrosomal proteins CP110, CEP97 and CEP290. Owing to limiting amounts of CP110, senescent cells, which are characterized by the accumulation of protein aggregates, were defective in aggresome formation. Furthermore, satellites and CP110–CEP97–CEP290 were required for the aggregation of mutant huntingtin. Together, these data reveal roles for CP110–CEP97–CEP290 and satellites in the control of cellular proteostasis and the aggregation of disease-relevant proteins.
Stratification of radiosensitive brain metastases based on an actionable S100A9/RAGE resistance mechanism
Authors: Monteiro Cátia , Miarka Lauritz , Perea-García María , Priego Neibla , García-Gómez Pedro , Álvaro-Espinosa Laura , de Pablos-Aragoneses Ana , Yebra Natalia , Retana Diana , Baena Patricia , Fustero-Torre Coral , Graña-Castro Osvaldo , Troulé Kevin , Caleiras Eduardo , Tezanos Patricia , Muela Pablo , Cintado Elisa , Trejo José Luis , Sepúlveda Juan Manuel , González-León Pedro , Jiménez-Roldán Luis , Moreno Luis Miguel , Esteban Olga , Pérez-Núñez Ángel , Hernández-Lain Aurelio , Mazarico Gallego José , Ferrer Irene , Suárez Rocío , Garrido-Martín Eva M. , Paz-Ares Luis , Dalmasso Celine , Cohen-Jonathan Moyal Elizabeth , Siegfried Aurore , Hegarty Aisling , Keelan Stephen , Varešlija Damir , Young Leonie S. , Mohme Malte , Goy Yvonne , Wikman Harriet , Fernández-Alén Jose , Blasco Guillermo , Alcázar Lucía , Cabañuz Clara , Grivennikov Sergei I. , Ianus Andrada , Shemesh Noam , Faria Claudia C. , Lee Rebecca , Lorigan Paul , Le Rhun Emilie , Weller Michael , Soffietti Riccardo , Bertero Luca , Ricardi Umberto , Bosch-Barrera Joaquim , Sais Elia , Teixidor Eduard , Hernández-Martínez Alejandro , Calvo Alfonso , Aristu Javier , Martin Santiago M. , Gonzalez Alvaro , Adler Omer , Erez Neta ,   RENACER, Sobrino Cecilia , Ajenjo Nuria , Artiga Maria-Jesus , Ortega-Paino Eva , Valiente Manuel
Published: April 2022

Whole-brain radiotherapy (WBRT) is the treatment backbone for many patients with brain metastasis; however, its efficacy in preventing disease progression and the associated toxicity have questioned the clinical impact of this approach and emphasized the need for alternative treatments. Given the limited therapeutic options available for these patients and the poor understanding of the molecular mechanisms underlying the resistance of metastatic lesions to WBRT, we sought to uncover actionable targets and biomarkers that could help to refine patient selection. Through an unbiased analysis of experimental in vivo models of brain metastasis resistant to WBRT, we identified activation of the S100A9–RAGE–NF-κB–JunB pathway in brain metastases as a potential mediator of resistance in this organ. Targeting this pathway genetically or pharmacologically was sufficient to revert the WBRT resistance and increase therapeutic benefits in vivo at lower doses of radiation. In patients with primary melanoma, lung or breast adenocarcinoma developing brain metastasis, endogenous S100A9 levels in brain lesions correlated with clinical response to WBRT and underscored the potential of S100A9 levels in the blood as a noninvasive biomarker. Collectively, we provide a molecular framework to personalize WBRT and improve its efficacy through combination with a radiosensitizer that balances therapeutic benefit and toxicity.
High gain low-cost antenna based on the utilization of diffracted fields from semi-ring shape dielectric edges
Authors: Al-Alem Yazan , Sifat Syed M. , Antar Yahia M. M. , Kishk Ahmed A.
Published: April 2022

A simple antenna with a 20-dBi gain is proposed. A thorough analysis of the propagation mechanism accompanied by a unique physical insight is provided. The realized structure has a low profile, low-cost, and compact features. A detailed insight into applying the Fresnel–Huygens principle is provided.
Author Correction: Genome sequencing of Prototheca zopfii genotypes 1 and 2 provides evidence of a severe reduction in organellar genomes
Authors: Severgnini Marco , Lazzari Barbara , Capra Emanuele , Chessa Stefania , Luini Mario , Bordoni Roberta , Castiglioni Bianca , Ricchi Matteo , Cremonesi Paola
Published: April 2022

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
A novel methodology to identify and survey physicians participating in medical aid-in-dying
Authors: Kini Vinay , Mosley Bridget , Ressalam Julie , Bolcic-Jankovic Dragana , Lum Hillary D. , Kessler Elizabeth R. , DeCamp Matthew , Campbell Eric G.
Published: April 2022

Physicians who participate in medical-aid-in-dying (MAID) cannot be easily identified and studied due to cost and anonymity barriers. We developed and empirically tested a novel methodology to identify and survey physicians highly likely to participate in MAID activities. We used a state-level comprehensive administrative claims database to identify a cohort of patients with diagnoses and hospice enrollment similar to those known to have filled a prescription for MAID from 2017–2018. We then identified physicians who provided routine outpatient care to these patients using National Provider Identifier numbers. We surveyed these physicians in 3 waves (n = 583 total surveys), ranking physicians in order of their likelihood of being asked about MAID for each wave based on characteristics including specialty and the number of unique patients they had provided care to. We re-ranked physicians in waves 2 and 3 based on responses from prior waves. Physicians were surveyed only once and there was no follow-up to preserve anonymity. Surveys assessed the proportion of respondents who participated in MAID activities (discussions, referrals, and/or prescriptions). We identified 6369 physicians that provided care to 2960 patients. In survey waves one, two, and three respectively, response rates (55%, 52%, and 55%; p = 0.98) and the proportion of respondents that participated in MAID activities (58%, 56%, and 42%; p = 0.05) were similar. Small adjustments made to physician ranking criteria in waves two and three did not increase the proportion of physicians that participated in MAID activities. We used a novel methodology using administrative data to identify and survey physicians at high likelihood of participating in MAID activities. We achieved good overall response rates (52%), and a high proportion of respondents that participated in MAID activities (52%), demonstrating that it is possible to overcome cost and anonymity barriers to conducting quantitative research on MAID. This methodology could be used in larger scale studies of MAID or other bioethical issues with “hidden” physician populations.
Anti-HMGB1 antibody is a potential characteristic autoantibody for Sjögren's syndrome
Authors: Chen Mingkun , Zhou Yi , Xue Miao , Zhu Rongrong , Jing Liling , Lin Liling , He Chengwen , Qin Yanghua
Published: April 2022

Sjögren's syndrome (SS) is a common chronic inflammatory autoimmune disease that affects about 0.33–0.77% population in China. The positive for antinuclear antibodies (ANA) is one of the key features of SS, which shows a nuclear fine speckled (AC-4) pattern in an indirect immunofluorescent antibody test (IIFT). About 70% of ANA-positive SS patients have detectable anti-SS-A and/or SS-B antibodies, which indicates that other autoantibodies may present in SS patients. The anti-HMGB1 antibodies in 93 SS patients and 96 healthy controls were investigated with in-house developed ELISA and immunoblotting, and the locations of HMGB1 and fluorescent pattern of anti-HMGB1 antibody were investigated with IIFT. The contribution of anti-HMGB1 antibody in ANA-IF was evaluated with Cas9-induce HMGB1 knockout B16 cells. The anti-HMGB1 antibody level is higher in SS patients (9.96 ± 5.55 RU/ml) than in healthy controls (4.9 ± 1.4 RU/ml). With ROC curve analysis, when taking 8 RU/ml as the cutoff value, the sensitivity, specificity, and the area under the curve were 64.5%, 96.9%, and 0.83, respectively. A total of 18 patients (20.7%) with nuclear fine speckled (AC-4) pattern in ANA-IF test were anti-HMGB1 antibody positive only. With commercial antibody, anti-HMGB1 antibody showed the same nuclear fine speckled (AC-4) pattern. The serum from ANA-IF (+), SS-A (−), and SS-B (−) SS patients showed nuclear fine speckled (AC-4) pattern in wildtype B16 cells, but no fluorescence in HMGB1 knockout B16 cells. Anti-HMGB1 antibody may be one of the characteristic autoantibodies of SS in addition to anti-SS-A and SS-B. The detection of anti-HMGB1 antibody can provide more laboratory evidence for clinical diagnosis of SS.
Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans
Authors: Chowdhury Rasheduzzaman , Abboud Martine I. , Wiley James , Tumber Anthony , Markolovic Suzana , Schofield Christopher J.
Published: April 2022

The JmjC family of 2-oxoglutarate dependent oxygenases catalyse a range of hydroxylation and demethylation reactions in humans and other animals. Jumonji domain-containing 7 (JMJD7) is a JmjC (3S)-lysyl-hydroxylase that catalyses the modification of Developmentally Regulated GTP Binding Proteins 1 and 2 (DRG1 and 2); JMJD7 has also been reported to have histone endopeptidase activity. Here we report biophysical and biochemical studies on JMJD7 from Drosophila melanogaster (dmJMJD7). Notably, crystallographic analyses reveal that the unusual dimerization mode of JMJD7, which involves interactions between both the N- and C-terminal regions of both dmJMJD7 monomers and disulfide formation, is conserved in human JMJD7 (hsJMJD7). The results further support the assignment of JMJD7 as a lysyl hydroxylase and will help enable the development of selective inhibitors for it and other JmjC oxygenases.
The ZZ domain of HERC2 is a receptor of arginylated substrates
Authors: Tencer Adam H. , Liu Jiuyang , Zhu Jing , Burkholder Nathaniel T. , Zhang Yi , Wu Wenwen , Strahl Brian D. , Ohta Tomohiko , Kutateladze Tatiana G.
Published: April 2022

The E3 ubiquitin ligase HERC2 has been linked to neurological diseases and cancer, however it remains a poorly characterized human protein. Here, we show that the ZZ domain of HERC2 (HERC2ZZ) recognizes a mimetic of the Nt-R cargo degradation signal. NMR titration experiments and mutagenesis results reveal that the Nt-R mimetic peptide occupies a well-defined binding site of HERC2ZZ comprising of the negatively charged aspartic acids. We report the crystal structure of the DOC domain of HERC2 (HERC2DOC) that is adjacent to HERC2ZZ and show that a conformational rearrangement in the protein may occur when the two domains are linked. Immunofluorescence microscopy data suggest that the stimulation of autophagy promotes targeting of HERC2 to the proteasome. Our findings suggest a role of cytosolic HERC2 in the ubiquitin-dependent degradation pathways.
Quantitative and rapid detection of spinosad and spinetoram by a gold nanoparticle-based immunostrip
Authors: Lei Xianlu , Xu Xinxin , Wang Li , Liu Liqiang , Kuang Hua , Xu Liguang , Xu Chuanlai
Published: April 2022

Spinosad (SPI) and spinetoram (Et-SPI) are currently among the most popular new insecticides because of their high efficiency and low toxicity.
Short-chain branched sulfosuccinate as a missing link between surfactants and hydrotropes
Authors: Stemplinger Simon , Causse Jérémy , Prévost Sylvain , Pellet-Rostaing Stéphane , Zemb Thomas , Horinek Dominik
Published: April 2022

Short-chain sulfosuccinates are an intermediary between hydrotropes and classical surfactants. This dynamic snapshot illustrates the fluctuating, weak aggregation in an aqueous solution.
Structural assignments of yttrium oxide cluster cations studied by ion mobility mass spectrometry
Authors: Misao Yotaro , Nagata Toshiaki , Nakano Motoyoshi , Ohshimo Keijiro , Misaizu Fuminori
Published: April 2022

The structures of yttrium oxide cluster ions were assigned by ion mobility mass spectrometry combined with calculations. The structures showed ionic bonding nature, and common Y-atom frameworks were obtained for ions with the same number of Y atoms.
Phonon-induced relaxation mechanisms are changed by a chelating effect in a CoII single-ion magnet
Authors: Lou Yu-Siang , Lin Bo-Ruei , Wu Chen-Ming , Chien Su-Ying , Yang En-Che
Published: April 2022

Compound 1 contains a rigid chelating ligand and compounds 2 and 3 contain monodentate dangling pyridine ligands. The rigid chelating ligand can efficiently change the phonon induced magnetization relaxation processes at low temperatures.
Nanosegregation in arene-perfluoroarene π-systems for hybrid layered Dion–Jacobson perovskites
Authors: Almalki Masaud , Dučinskas Algirdas , Carbone Loï C. , Pfeifer Lukas , Piveteau Laura , Luo Weifan , Lim Ethan , Gaina Patricia A. , Schouwink Pascal A. , Zakeeruddin Shaik M. , Milić Jovana V. , Grätzel Michael
Published: April 2022

Arene–perfluoroarene moieties are used to assemble Dion-Jacobson perovskite phases, revealing nanosegregation and enhanced environmental stabilities relevant to their application.
Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones
Authors: Penjarla Thirupathi Reddy , Shukla Adarash Kumar , Hazra Rituparna , Roy Durba , Kundarapu Maheshwar , Dixit Mudit , Bhattacharya Anupam
Published: April 2022

C–C coupling using Cu(OAc)2 as the catalyst for the synthesis of spiro indanedione cyclopropylpyrazolones under an oxygen atmosphere.
Ultra-bright carbon quantum dots for rapid cell staining
Authors: Zhu Tongtong , Cao Lei , Zhou Zhenqiao , Guo Hanzhou , Ge Mingfeng , Dong Wen-Fei , Li Li
Published: April 2022

A schematic illustration of the synthesis of G-CDs and cell imaging under one-photon and two-photon conditions.
A dual identification strategy based on padlock ligation and CRISPR/Cas14a for highly specific detection of BRAF V600E mutation in clinical samples
Authors: Shi Weicheng , Gong Yao , Zhang Decai , Yang Tiantian , Yi Ming , Tan Jingyi , Ding Shijia , Cheng Wei
Published: April 2022

A dual identification strategy based on ligase chain reactions and CRISPR/Cas14a for highly specific SNV detection.
A photocontrollable thermosensitive chemical spatiotemporally destabilizes mitochondrial membranes for cell fate manipulation
Authors: Ni Xiu-Wen , Chen Ke-Zheng , Qiao Sheng-Lin
Published: April 2022

A thermosensitive chemical destabilizes mitochondrial membranes upon in situ molecule changes from hydrophilic to hydrophobic, which induces apoptosis in a spatiotemporally controlled manner and has a role to play in antitumor pharmaceuticals.
Statistical evaluation of simulated NMR data of flexible molecules
Authors: Sternberg Ulrich , Farès Christophe
Published: April 2022

A new probability score—named χ-probability—is introduced for evaluating the fit of mixed NMR datasets to calculate molecular model ensembles, in order to answer challenging structural questions such as the determination of stereochemical configurations.
Supramolecular heptanuclear Ln–Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior
Authors: Xi Lu , Jin Chao-Yi , Song Hong-Wei , Wang Xiao-Tong , Li Li-Cun , Sutter Jean-Pascal
Published: April 2022

Supramolecular heptanuclear 2p–3d–4f complexes have been achieved using a nitronyl nitroxide biradical and the CuDy analogue exhibits magnetic relaxation behavior.
Theoretical unraveling of the separation of trivalent Am and Eu ions by phosphine oxide ligands with different central heterocyclic moieties
Authors: Huang Pin-Wen
Published: April 2022

Am(iii)/Eu(iii) separation mechanism of three phosphine oxide ligands with different central moieties were investigated using DFT method, the affinity of donor O atoms seems to have an opposite influence on the ligands’ separation ability.
Methylpiperazine based 0D chiral hybrid lead halides for second harmonic generation
Authors: Jia Xiaodi , Zheng Yongshen , Cheng Puxin , Han Xiao , Xu Liang , Xu Jialiang
Published: April 2022

Two new chiral hybrid organic–inorganic metal halides, (S-/R-2-C5H14N2)2PbI6, have been constructed, which exhibit a strong second harmonic generation response with a large laser damage threshold (∼2.97 mJ cm−2).
p-Synephrine suppresses inflammatory responses in lipopolysaccharide-stimulated RAW264.7 cells and alleviates systemic inflammatory response syndrome in mice
Authors: Ishida Momoko , Takekuni Chihiro , Nishi Kosuke , Sugahara Takuya
Published: April 2022

We found thatp-synephrine inhibits the production of proinflammatory cytokines in LPS-stimulated RAW264.7 cells. This inhibitory effect could be attributed to the downregulation of p38 MAPK and NF-κB cascades mediated by β-adrenergic receptors.
Cooperative coupling of anisotropic phonon modes intensifies visible thermochromism in layered α-MoO3
Authors: Kim Youngkwang , Lee June Ho , Jung Young Hwa , Lee Donghwa , Son Junwoo
Published: April 2022

Out-performing thermochromic materials need to be developed for sensitive temperature-indicating applications. In our work, a new ingredient was unveiled to boost the visible thermochromism of thermally stable layered oxides by cooperative coupling of intra-layer phonon modes in α-MoO3.
Ultrafast growth of submillimeter-scale single-crystal MoSe2 by pre-alloying CVD
Authors: Xin Xing , Chen Jiamei , Zhang Yanmei , Chen Mao-Lin , Bao Youzhe , Liu Weizhen , Liu Yichun , Xu Haiyang , Ren Wencai
Published: April 2022

A pre-alloying CVD method was developed to realize the ultrafast growth (30 s) and non-destructive transfer of submillimeter-scale (560 μm) monolayer single-crystal MoSe2 on Au for the first time.
Enhanced photocatalytic performance of ZnO/AgCl composites prepared by high-energy mechanical ball milling
Authors: Tian Xuemei , Wu Hanliu , Hu Xiaoyan , Wang Zhonghua , Ren Chunguang , Cheng Zhengjun , Dou Lin , Lin Ying-Wu
Published: April 2022

ZnO/AgCl composites prepared by high-energy ball milling showed excellent photocatalytic activity for RhB degradation and 1,4-DHP dehydrogenation under visible-light irradiation.
Binary temporary photo-response of ZnSe:Mn/ZnS quantum dots for visible time-domain anti-counterfeiting
Authors: Wang Jiancheng , Zhou Beiying , Hu Xiaobo , Ma Jiaxin , Jin Meizhen , Wang Lianjun , Jiang Wan
Published: April 2022

Through introducing electron traps and constructing cascade electron channels, a time-domain anti-counterfeiting strategy was realized based on ZnSe:Mn/ZnS QDs with binary temporary photo-response.
LCST and UCST-type thermoresponsive behavior in dendronized gelatins
Authors: Ding Yan , Zhang Xiacong , Xu Biyi , Li Wen
Published: April 2022

Through dendronization with OEGs, gelatins show dual LCST- and UCST-type thermoresponsive behavior, as well as reversible sol–gel transitions.
New fluorescence labeling isotactic polypropylenes as a tracer: a proof of concept
Authors: Pragliola Stefania , Grisi Fabia , Vitale Vissia , Sacco Olga , Venditto Vincenzo , Izzo Lorella , Grimaldi Annalisa , Baranzini Nicolò
Published: April 2022

Fluorescent polypropylenes for the detection of PP-derived microplastic pollutants in organic tissues.
Ligand-regulated metal–organic frameworks for synergistic photoredox and nickel catalysis
Authors: Tang Yang , Zhao Liang , Ji Guanfeng , Zhang Yu , He Cheng , Wang Yefei , Wei Jianwei , Duan Chunying
Published: April 2022

A phenoxazine-based metal–organic framework as an electronic rectification regulator for synergistic photoredox and nickel catalytic C–N cross-coupling.
Combined experimental and computational study of Al2O3 catalyzed transamidation of secondary amides with amines
Authors: Ali Md Ayub , Nath Ashutosh , Islam Md Midul , Shaheed Sharmin Binte , Dibbo Ifat Nur
Published: April 2022

Amides are the most extensively used substances in both synthetic organic and bioorganic chemistry.
Highly efficient C(CO)–C(alkyl) bond cleavage in ketones to access esters over ultrathin N-doped carbon nanosheets
Authors: Hua Manli , Song Jinliang , Huang Xin , Fan Honglei , Wu Tianbin , Meng Qinglei , Zhang Zhanrong , Han Buxing
Published: April 2022

Ultrathin and metal-free N-doped carbon nanosheets showed high activity and selectivity for oxidative esterification of ketones via C(CO)–C bond cleavage to access methyl esters.
Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: revealing the hidden C6H4ligand
Authors: Somerville Rosie J. , Borys Andryj M. , Perez-Jimenez Marina , Nova Ainara , Balcells David , Malaspina Lorraine A. , Grabowsky Simon , Carmona Ernesto , Hevia Eva , Campos Jesús
Published: April 2022

We disclose the actual octanuclear nature of the major compound from reacting Ni(COD)2and PhLi, assigned for more than four decades as ‘Li3NiPh3(solv)3’. We provide a thorough bonding analysis and discuss its potential implications in catalysis.
Recent advances of biomass derived carbon-based materials for efficient electrochemical energy devices
Authors: Zhang Guangying , Liu Xu , Wang Lei , Fu Honggang
Published: April 2022

The synthetic strategies, structural characteristics and applications of energy devices have been systematically summarized, and the corresponding future development and challenges are proposed.
Correction: Designing a descriptor for the computational screening of argyrodite-based solid-state superionic conductors: uniformity of ion-cage size
Authors: Jun Byeongsun , Lee Sang Uck
Published: April 2022

Correction for ‘Designing a descriptor for the computational screening of argyrodite-based solid-state superionic conductors: uniformity of ion-cage size’ by Byeongsun Jun et al., J. Mater. Chem. A, 2022, 10, 7888–7895, DOI: 10.1039/d1ta10964b.
Investigating the viability of sulfur polymers for the fabrication of photoactive, antimicrobial, water repellent coatings
Authors: Upton Rebekah L. , Dop Romy A. , Sadler Emma , Lunt Amy M. , Neill Daniel R. , Hasell Tom , Crick Colin R.
Published: April 2022

A novel superhydrophobic coating prepared from an inverse vulcanized copolymer and SiO2 nanoparticle composite, exhibiting antibacterial properties, photocatalytic behaviour and UV stability.
Ultrapure blue organic light-emitting diodes exhibiting 13 nm full width at half-maximum
Authors: Liu Tiangeng , Cheng Cong , Lou Weiwei , Deng Chao , Liu Junyuan , Wang Dan , Tsuboi Taiju , Zhang Qisheng
Published: April 2022

The OLED containing an emitter combining a rigid indolocarbazole core and bulky mesityl substituents exhibited ultrapure blue emission with a full width at half maximum of 13 nm, which is the narrowest in reported bottom-emitting OLEDs.
Selectable microwave‐frequency doubling and quadrupling via optical path‐length tuning
Authors: Maafa M.R. , Maywar D.N.
Published: April 2022

A technique to selectively double or quadruple the frequency of a microwave signal is experimentally demonstrated based on a commercial single‐output Mach–Zehnder modulator (MZM). Selectability is achieved by only a change in optical path length in a post‐MZM optical subsystem, without filtering and without changing the MZM drive voltage. This path length controls the synchronisation of two similarly shaped optical signals that are incoherently combined. Multiplication from 2 GHz (S‐band) to 4 GHz (C‐band, doubling) and to 8 GHz (X‐band, quadrupling) is demonstrated with side‐tone suppression greater than 24 dB. At a 10‐kHz offset from the quadrupled frequency, the phase‐noise degradation is only 7.9 dB, a 4.1‐dB improvement over traditional quadrupling techniques.
Stellar mass and radius estimation using artificial intelligence
Authors: Moya A. , López-Sastre R. J.
Published: April 2022

Context. Estimating stellar masses and radii for most stars is a challenge, but it is critical to know them for many different astrophysical fields, such as exoplanet characterization or stellar structure and evolution. One of the most extended techniques for estimating these variables is the so-called empirical relations.

Aims. We propose a group of frontier artificial intelligence (AI) regression models, with the aim of studying their proficiency in estimating stellar masses and radii. We select the model that provides the best accuracy with the least possible bias. Some of these AI techniques do not treat uncertainties properly, but in the current context, in which statistical analyses of massive databases in different fields are conducted, the most accurate estimate possible of stellar masses and radii can provide valuable information. We publicly release the database, the AI models, and an online tool for stellar mass and radius estimation to the community.

Methods. We used a sample of 726 MS stars from the literature with accurate M, R, Teff, L, log ɡ, and [Fe/H]. We split our data sample into training and testing sets and then analyzed the different AI techniques with them. In particular, we experimentally evaluated the accuracy of the following models: linear regression, Bayesian regression, regression trees, random forest, support-vector regression (SVR), neural networks, K-nearest neighbour, and stacking. We propose a series of experiments designed to evaluate the accuracy of the estimates, and also the generalization capability of AI models. We also analyzed the impact of reducing the number of input parameters and compared our results with those from current empirical relations in the literature.

Results. We have found that stacking several regression models is the most suitable technique for estimating masses and radii. In the case of the mass, neural networks also provide precise results, and for the radius, SVR and neural networks work as well. Compared with other currently used empirical relation-based models, our stacking improves the accuracy by a factor of two for both variables. In addition, bias is reduced to one order of magnitude in the case of stellar mass. Finally, we found that using our stacking and only Teff and L as input features, the accuracies obtained are slightly higher than 5%, with a bias of ≈1.5%. In the case of the mass, including [Fe/H] significantly improves the results. For the radius, including log ɡ yields better results. Finally, the proposed AI models exhibit an interesting generalization capability: they are able to perform estimations for masses and radii that were never observed during the training step.
Null controllability and inverse source problem for stochastic Grushin equation with boundary degeneracy and singularity
Authors: Yan Lin , Wu Bin , Lu Shiping , Wang Yuchan
Published: April 2022

In this paper, we consider a null controllability and an inverse source problem for stochastic Grushin equation with boundary degeneracy and singularity. We construct two special weight functions to establish two Carleman estimates for the whole stochastic Grushin operator with singular potential by a weighted identity method. One is for the backward stochastic Grushin equation with singular weight function. We then apply it to prove the null controllability for stochastic Grushin equation for any T and any degeneracy γ > 0, when our control domain touches the degeneracy line {x = 0}. In order to study the inverse source problem of determining two kinds of sources simultaneously, we prove the other Carleman estimate, which is for the forward stochastic Grushin equation with regular weight function. Based on this Carleman estimate, we obtain the uniqueness of the inverse source problem.
Extension of the BIANCA biophysical model up to Fe-ions and applications for space radiation research
Authors: Ramos Ricardo , Embriaco Alessia , Carante Mario , Ferrari Alfredo , Sala Paola , Vercesi Valerio , Ballarini and Francesca
Published: April 2022

BIANCA (BIophysical ANalysis of Cell death and chromosome Aberrations) is a biophysical model, implemented as a Monte Carlo code, which simulates the induction of chromosome aberrations and cell death by different monochromatic ion beams (i.e., different ion types and energy values), as well as photons. In previous works, the model predictions for cell survival and lymphocyte dicentrics along therapeutic-like ion beams have been successfully benchmarked against experimental data. With the aim of evaluating the biological damage induced by Galactic Cosmic Rays (GCR), in this study BIANCA was extended up to Fe-ions. A radiobiological database describing human skin fibroblast cell survival and lymphocyte dicentrics as a function of ion type (1≤Z≤26) and energy, as well as dose, was constructed. Afterwards, interfacing BIANCA with the FLUKA Monte Carlo transport code, a feasibility study was performed to calculate the Relative Biological Effectiveness (RBE) of Galactic Cosmic Rays, both for dicentrics and for cell survival; the results were discussed with respect to available space radiation protection limits. Following this work, BIANCA can now provide RBE predictions of cell killing, which can be related to deterministic effects, and lymphocyte dicentrics, more related to stochastic effects, for space radiation exposure.
Theoretical study of 47Sc production for theranostic applications using proton beams on enriched titanium targets
Authors: Barbaro Francesca , Canton Luciano , Carante Mario Pietro , Colombi Alessandro , Fontana Andrea
Published: April 2022

Recently, scandium-47 has attracted attention in the scientific community thanks to its promising features, making it suitable for targeted radiotherapy and theranostic applications, also in combination with the β+ emitters 43Sc/44Sc. However, in view of possible pre-clinical and clinical studies, finding efficient production routes is still a current research topic. In this work we investigate 47Sc cyclotron production using proton beams on enriched titanium targets. The analysis of the cross sections and yields of both 47Sc (T1/2 = 3.35 d) and its main contaminant 46Sc (T1/2 = 83.79 d) has been performed with the nuclear reaction code Talys (v.1.95). The experimental data (scarce and relatively old) are compared with model calculations and some discrepancies emerge even after the tuning of parameters defining the nuclear level densities, involved in the compound nucleus formation. The 49Ti case allows a more precise cross sections reproduction, conversely the 50Ti case requires further theoretical investigations. Preliminary yields analysis has been carried out for both 47Sc and 46Sc.
Regression bei jungen Erwachsenen mit einem Down-Syndrom: Eine
Fallserie
Authors: Wagemann Olivia , Loosli Sandra V. , Vöglein Jonathan , Prix Catharina , Wlasich Elisabeth , Nübling Georg , Danek Adrian , Levin Johannes
Published: April 2022

Hintergrund In Abgrenzung zur Depression und zur früh beginnenden
Alzheimer-Demenz ist bei jungen Erwachsenen mit einem Down-Syndrom ein
Regressions-Syndrom im Sinne eines plötzlich auftretenden, weitgehend
irreversiblen Verlusts erlernter Fähigkeiten sowie
Verhaltensänderungen beschrieben. Die vorliegende Fallserie verdeutlicht
die heterogene Präsentation, die Herausforderungen im
differentialdiagnostischen und therapeutischen Vorgehen sowie prognostische
Konsequenzen des Syndroms.

Methodik Es erfolgte eine Evaluation anhand der CAMDEX-DS (Cambridge
Examination for Mental Disorders of Older People with Down Syndrome and Others
with Intellectual Disabilities) sowie des Diagnosekatalogs der DSMIG-USA
(Down-Syndrome Medical Interest Group USA).

Ergebnisse Für alle drei Patienten ließ sich mittels
DSMIG-USA-Kriterien und nach Ausschluss somatischer oder psychiatrischer
Ursachen ein mindestens wahrscheinliches Regressions-Syndrom feststellen.

Diskussion Die ausführliche differentialdiagnostische
Abklärung einer unklaren Regression bei jungen Menschen mit einem
Down-Syndrom erlaubt bei entsprechender Verdachtsdiagnose eine rasche Einleitung
therapeutischer und sozialmedizinischer Maßnahmen. Der Diagnosekatalog
der DSMIG-USA erleichtert dabei die Einordnung der diffusen und vielseitigen
Symptomatik.
Evaluation der Wirksamkeit der klärungsorientierten
Psychotherapie bei Personen mit einer narzisstischen
Persönlichkeitsstörung nach DSM-IV – eine
naturalistische Längsschnittstudie mit prä-post
Design
Authors: Müller Gregor , Sachse Rainer , Langer Katja , Claus Benedikt Bernd , Bonnet Udo
Published: April 2022

Hintergrund Patienten mit einer narzisstischen
Persönlichkeitsstörung (NPS) gelten im Rahmen der
therapeutischen Arbeit als besonders herausfordernd. Allerdings liegen gut
kontrollierte Studien zur Effektivität von Psychotherapie bei
NPS-Patienten bislang nicht vor, sodass viele Interventionsprozesse auf
theoretischen Konstrukten basieren. Die Klärungsorientierte
Psychotherapie (KOP) ist ein psychotherapeutisches
Verfahren, welches sich aus Konzepten der Kognitiven Verhaltenstherapie,
der Klientenzentrierten Psychotherapie und verschiedenen
prozessorientierten Verfahren entwickelt hat. Die
vorliegende Untersuchung versucht eine Quantifizierung der
Effektivität einer psychotherapeutischen Behandlung der NPS
per KOP.

Methode und Ergebnisse Retrospektive Kohorten-Studie. Die prä-post
per-Protokoll-Analyse von 173 behandlungssuchenden NPS-Patienten1 zeigte nach Abschluss der Behandlung
(58,6±10,5 Sitzungen) signifikante Verbesserungen von zentralen
störungsrelevanten Parametern (mit größtenteils
mittleren Effektstärken). Insbesondere das primäre Zielkriterium
(d.h. der ehrgeizige/narzisstische Persönlichkeitsziel im
„Persönlichkeits-Stil- und Störungs-Inventar“
(PSSI) zeigte eine positive Veränderung (mittlere Effektstärke:
d=−0,49 [−0,67; −0,31], p<0,001).
In Bezug auf die Verbesserung depressiver „states“ und
„traits“, Neurotizismus sowie der Selbstakzeptanz konnte sogar
ein großer Effekt gefunden werden. Die niedrigsten Effektstärken
fanden sich bei der Stärkung der Selbstregulation (d=0,2 [0,03;
0,36], p=0,02).

Diskussion Da keine intention-to-treat-Analyse durchgeführt wurde,
kann eine Überschätzung der Effektstärken der Behandlung
nicht ausgeschlossen werden. Die Ergebnisse deuten an, dass der KOP eine
bevorzugte Position bei der Behandlung der narzisstischen
Persönlichkeitsstörung eingeräumt werden kann. Aus Sicht
der evidenzbasierten Medizin unterstützen die Ergebnisse dieser bisher
umfangreichsten Studie zur Psychotherapie der NPS eine Anhebung des
Evidenzlevels der Wirksamkeit der KOP bei der Behandlung dieser Störung
von Stufe IV auf Stufe III.
Research Progress on N-Heterocyclic Carbene Catalyzed Reactions for Synthesizing Ketones through Radical Mechanism
Authors: Yang Hai-Bin , Wan Dan-Hong
Published: April 2022

NHC-catalyzed radical cross-coupling reactions have been recently developed; they provide an efficient method to access ketones from aldehydes or carboxylic acid derivatives with sp3-hybridized carbon radical precursors. This reaction has indirectly solved the limitations in the scope of coupling partners in NHC umpolung catalyzed reactions of aldehydes. In this short review, we present some recent advances in NHC-catalyzed radical reactions, with a focus on the construction of the C–C(CO) bond.

1 Introduction

2 Oxidative Generation of NHC-Derived Ketyl Radical

2.1 NHPI Redox-Active Esters

2.2 Katritzky Pyridinium Salts

2.3 Alkyl Halides

2.4 Aryl Halides

2.5 Compounds Containing N–O Bond

2.6 Diazo Esters

2.7 Others

3 Reductive Generation of NHC-Derived Ketyl Radical

3.1 Hantzsch Esters

3.2 Sulfinates

3.3 Electron-Rich Arenes

3.4 Amines

3.5 Organoborane Reagents

4 Conclusion
Hematological Parameters to Predict the Severity of Hyperemesis Gravidarum and Ketonuria
Authors: Aslan Mehmet Musa , Yeler Mustafa Taner , Bıyık İsmail , Yuvacı Hilal Uslu , Cevrioğlu Arif Serhan , Özden Selcuk
Published: April 2022

Objective Hyperemesis gravidarum (HG) is a pregnancy complication that can progress with persistent nausea and vomiting. The aim of the present study is to evaluate the relationship between hematological parameters and HG.

Method A total of 532 pregnant women with HG who were admitted to the Department of Obstetrics and Gynecology between March 2019 and February 2021, and 534 healthy pregnant women with characteristics similar to those of the case group were included in the study. The hematological parameters of both groups were compared. In addition, the hematological parametersof patients with HG according to the severity of ketonuria were compared.

Results The mean age of the HG group (n = 532) was 26.3 ±  4.1 years, and that of the control group (n = 534) was 25.9 ±  4.8 years. Among patients with HG, 46% (n = 249) had ketone (+), 33% (n = 174), ketone (++), and 21% (n = 109), ketone (++ + ). The neutrophil-to-lymphocyte ratio (NLR) and platelet-to-lymphocyte ratio (PLR) were higher in the HG group than in the control group: 3.8 (2.8–5.8)/3.2 (2.6–4.0); p < 0.001; and 135.2 ±  30.4/108.9 ±  62.2; p < 0.001 respectively. The neutrophil count, NLR, and PLR were higher in the group with ketone (++ + ) than in the groups with ketone (+) or ketone (++): 7.6 ±  1.9/5.5 ±  2.4; p < 0.001; 3.8(2.8–4.6)/2.9(2.3–3.6); p < 0.001; and 149.9 ±  48.0/135.9 ±  65.7; p < 0.001 respectively. The mean corpuscular hemoglobin (MCH) level, the NLR, and the PLR were identified as independent predictors of the presence of HG and the level of ketone positivity in HG patients.

Conclusion The NLR and PLR were high in patients with HG, suggesting the its inflammatory activity. They may be important markers associated with the presence and severity of HG.
White noise space analysis and multiplicative change of measures
Authors: Alpay Daniel , Jorgensen Palle , Porat Motke
Published: April 2022

In this paper, we display a family of Gaussian processes, with explicit formulas and transforms. This is presented with the use of duality tools in such a way that the corresponding path-space measures are mutually singular. We make use of a corresponding family of representations of the canonical commutation relations (CCR) in an infinite number of degrees of freedom. A key feature of our construction is explicit formulas for associated transforms; these are infinite-dimensional analogs of Fourier transforms. Our framework is that of Gaussian Hilbert spaces, reproducing kernel Hilbert spaces and Fock spaces. The latter forms the setting for our CCR representations. We further show, with the use of representation theory and infinite-dimensional analysis, that our pairwise inequivalent probability spaces (for the Gaussian processes) correspond in an explicit manner to pairwise disjoint CCR representations.
Parametrically driven THz magnon-pairs: Predictions toward ultimately fast and minimally dissipative switching
Authors: Fabiani G. , Mentink J. H.
Published: April 2022

Finding ways to achieve switching between magnetic states at the fastest possible timescale that simultaneously dissipates the least amount of energy is one of the main challenges in magnetism. Antiferromagnets exhibit intrinsic dynamics in the THz regime, the highest among all magnets, and are, therefore, ideal candidates to address this energy-time dilemma. Here, we study theoretically the THz-driven parametric excitation of antiferromagnetic magnon-pairs at the edge of the Brillouin zone and explore the potential for switching between two stable oscillation states. Using a semi-classical theory, we predict that switching can occur at the femtosecond timescale with an energy dissipation down to a few zepto Joule. This result touches the thermodynamical bound of the Landauer principle and approaches the quantum speed limit up to 5 orders of magnitude closer than demonstrated with magnetic systems so far.
Enhancement of polarization and magnetization in polycrystalline magnetoelectric composite
Authors: Jayachandran K. P. , Guedes J. M. , Rodrigues H. C.
Published: April 2022

Electrical control of magnetization or magnetic control of polarization offers an extra degree of freedom in materials possessing both electric and magnetic dipole moments, viz., magnetoelectric (ME) multiferroics. A microstructure with polycrystalline configurations that enhances the overall polarization/magnetization and that outperforms single crystalline configurations is identified in a 1–3 CoFe2O4–BaTiO3 (or CFO–BTO) composite. The characterization of local fields corresponding to the polycrystal configuration underlines a nontrivial role played by randomness in better cross coupling mediated by anisotropic and asymmetric strains. The microscopic field (local field) profile of the composite provides rich information regarding the distribution of key parameters central to the magnetoelectric effect. The differential contractual stress level observed in the local stress profile of CFO–BTO composite upon applying an external magnetic field conforms with the previous experimental magnetostriction observed in CFO. The role played by residual stresses stemming from misalignment of the polarization in the neighboring grains in enhancing the ME coupling is briefly discussed.