bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization of four mitochondrial genomes from superfamilies Noctuoidea and Hyblaeoidea with their phylogenetic implications
Authors: Shah Rauf Ahmad , Riyaz Muzafar , Ignacimuthu Savarimuthu , Sivasankaran Kuppusamy
Published: November 2022

In the present study, the newly sequenced mitogenomes of three Noctuoid and one Hyblaeoid (Insecta: Lepidoptera) species were annotated based on next-generation sequence data. The complete mitogenome lengths ofOraesia emarginata, Actinotia polyodon, Odontodes seranensis,andHyblaea puerawere 16,668 bp, 15,347 bp, 15,419 bp, and 15,350 bp, respectively. These mitogenomes were found to encode 37 typical mitochondrial genes (13 protein-coding, 22 transfer RNA, 2 ribosomal RNA) and a control region, similar to most Lepidoptera species. Maximum likelihood (ML) methods and Bayesian inference (BI) were used to reconstruct the phylogenetic relationships of the moths. This study showed the relationships of Noctuoid families as follows: (Notodontidae + (Erebidae + (Nolidae + (Euteliidae + Noctuidae)))). Furthermore, the speciesH. puerawas separately clustered from the Noctuoidea member groups. Till now, the species from the superfamily Hyblaeoidea have not been discussed for their phylogenetic relationships. In this study, the complete mitochondrial genome of one species from the superfamily Hyblaeoidea was analysed.
Photosynthetic modulation during the diurnal cycle in a unicellular diazotrophic cyanobacterium grown under nitrogen-replete and nitrogen-fixing conditions
Authors: Liberton Michelle , Biswas Sandeep , Pakrasi Himadri B.
Published: November 2022

Cyanobacteria are the only oxygenic photosynthetic organisms that can fix nitrogen. In diazotrophic cyanobacteria, the regulation of photosynthesis during the diurnal cycle is hypothesized to be linked with nitrogen fixation and involve the D1 protein isoform PsbA4. The amount of bioavailable nitrogen has a major impact on productivity in aqueous environments. In contrast to low- or nitrogen-fixing (−N) conditions, little data on photosynthetic regulation under nitrogen-replete (+ N) conditions are available. We compared the regulation of photosynthesis under −N and + N conditions during the diurnal cycle in wild type and a psbA4 deletion strain of the unicellular diazotrophic cyanobacterium Cyanothece sp. ATCC 51142. We observed common changes to light harvesting and photosynthetic electron transport during the dark in + N and −N conditions and found that these modifications occur in both diazotrophic and non-diazotrophic cyanobacteria. Nitrogen availability increased PSII titer when cells transitioned from dark to light and promoted growth. Under −N conditions, deletion of PsbA4 modified charge recombination in dark and regulation of PSII titer during dark to light transition. We conclude that darkness impacts the acceptor-side modifications to PSII and photosynthetic electron transport in cyanobacteria independently of the nitrogen-fixing status and the presence of PsbA4.
First report of glyphosate-resistant downy brome (Bromus tectorum L.) in Canada
Authors: Geddes Charles M. , Pittman Mattea M.
Published: November 2022

Glyphosate is the most used herbicide worldwide, and is an important source of economical weed control in glyphosate-resistant crops, and conservation tillage systems, among other uses. Downy brome (Bromus tectorum L.), otherwise known as cheatgrass, is a highly invasive winter-annual grass weed in cropping systems, pastureland, and naturalized or ruderal areas in western North America. In 2021, a downy brome population remained uncontrolled following four applications of glyphosate in a glyphosate-resistant canola (Brassica napus L.) field located in Taber County, Alberta, Canada. All individuals from the subsequent generation of the population survived glyphosate treatment at the typical field rate (900 g ae ha−1). In dose-response bioassays, the putative glyphosate-resistant population exhibited 10.6- to 11.9-fold, 7.7- to 8.7-fold, 7.8- to 8.8-fold, and 8.3- to 9.5-fold resistance to glyphosate based on plant survival, visible control, and biomass fresh weight and dry weight, respectively, compared with two susceptible populations 21 days after treatment. Estimated glyphosate rates for 80% control of this population ranged from 2795 to 4511 g ae ha−1; well above common usage rates. This downy brome population represents the first glyphosate-resistant grass weed confirmed in Canada, and the second weed species exhibiting glyphosate resistance in the Canadian prairie region.
High-throughput analysis of tissue microarrays using automated desorption electrospray ionization mass spectrometry
Authors: Morato Nicolás M. , Brown Hannah Marie , Garcia Diogo , Middlebrooks Erik H. , Jentoft Mark , Chaichana Kaisorn , Quiñones-Hinojosa Alfredo , Cooks R. Graham
Published: November 2022

Tissue microarrays (TMAs) are commonly used for the rapid analysis of large numbers of tissue samples, often in morphological assessments but increasingly in spectroscopic analysis, where specific molecular markers are targeted via immunostaining. Here we report the use of an automated high-throughput system based on desorption electrospray ionization (DESI) mass spectrometry (MS) for the rapid generation and online analysis of high-density (6144 samples/array) TMAs, at rates better than 1 sample/second. Direct open-air analysis of tissue samples (hundreds of nanograms) not subjected to prior preparation, plus the ability to provide molecular characterization by tandem mass spectrometry (MS/MS), make this experiment versatile and applicable to both targeted and untargeted analysis in a label-free manner. These capabilities are demonstrated in a proof-of-concept study of frozen brain tissue biopsies where we showcase (i) a targeted MS/MS application aimed at identification of isocitrate dehydrogenase mutation in glioma samples and (ii) an untargeted MS tissue type classification using lipid profiles and correlation with tumor cell percentage estimates from histopathology. The small sample sizes and large sample numbers accessible with this methodology make for a powerful analytical system that facilitates the identification of molecular markers for later use in intraoperative applications to guide precision surgeries and ultimately improve patient outcomes.
Design and experimental research of a novel deep-sea self-sustaining profiling float for observing the northeast off the Luzon Island
Authors: Wang Qiang , Qiu Zurong , Yang Shaobo , Li Hongyu , Li Xingfei
Published: November 2022

To understand the physical ocean laws of ocean circulation in the deep ocean below 2000 m, a profiling float named FUXING is presented to meet the deep-ocean observation requirements at a depth of 4000 m. First, to meet the low energy consumption and buoyancy regulation stability of the profiling float, the low–power buoyancy adjustment process of FUXING is effectively solved by introducing the external seawater pressure as the driving force. Then, to reduce the energy consumption of the single profile for the profiling float, the optimization of the oil draining adjustment mode in the floating process is studied. Simultaneously, a buoyancy-driven system characterization test was performed to examine the buoyancy adjustment of FUXING. When the frequency of oil draining is 15 times, the total energy consumption of FUXING is the lowest. Finally, FUXING was deployed in the northeast off the Luzon Island to validate the feasibility and reliability. The at-sea experiments indicated that the optimized oil draining adjustment mode can reduce the total energy consumption in the floating process by more than 20%. The profile data showed that the outer sea water gradually mixes with the South China Sea water after passing through the northeast off the Luzon Island.
Circulating thrombospondin 2 levels reflect fibrosis severity and disease activity in HCV-infected patients
Authors: Iwadare Takanobu , Kimura Takefumi , Tanaka Naoki , Yamazaki Tomoo , Wakabayashi Shun-ichi , Okumura Taiki , Kobayashi Hiroyuki , Yamashita Yuki , Pydi Sai P. , Nakajima Tomoyuki , Iwaya Mai , Sugiura Ayumi , Joshita Satoru , Uehara Takeshi , Umemura Takeji
Published: November 2022

Among several secreted glycoproteins belonging to the thrombospondin family, thrombospondin 2 (TSP2) is involved in various functions, including collagen/fibrin formation. Liver/serum TSP2 levels have been correlated to liver fibrosis stage and disease activity in nonalcoholic fatty liver disease. This study investigated whether serum TSP2 was associated with clinicopathological features in hepatitis C virus (HCV)-infected patients as well. A total of 350 patients with HCV who had undergone liver biopsy were retrospectively enrolled and divided into a discovery cohort (n = 270) and a validation cohort (n = 80). In the discovery cohort, serum TSP2 levels were moderately correlated with both liver fibrosis stage (r = 0.426, P < 0.0001) and activity grade (r = 0.435, P < 0.0001). The area under the receiver operating characteristic curve of TSP2 for predicting severe fibrosis (≥ F3) was 0.78 and comparable to or better than those of autotaxin (0.78), FIB-4 index (0.78), and APRI (0.76). The discovery cohort findings were closely replicated in the validation cohort. Moreover, comprehensive liver genetic analysis of HCV-infected patients confirmed that the expression of the THBS2 gene encoding TSP2 was significantly higher in severely fibrotic F4 than in F1 patients. Circulating TSP2 levels may reflect the severity of hepatic fibrosis/inflammation in HCV-infected patients.
Ship wave patterns on floating ice sheets
Authors: Johnsen Kristoffer , Kalisch Henrik , Părău Emilian I.
Published: November 2022

This paper aims to explore the response of a floating icesheet to a load moving in a curved path. We investigate the effect of turning on the wave patterns and strain distribution, and explore scenarios where turning increases the wave amplitude and strain in the ice, possibly leading to crack formation, fracturing and eventual ice failure. The mathematical model used here is the linearized system of differential equations introduced in Dinvay et al. (J. Fluid Mech. 876:122–149, 2019). The equations are solved using the Fourier transform in space, and the Laplace transform in time. The model is tested against existing results for comparison, and several cases of load trajectories involving turning and decelerating are tested.
The impact of resilience as a protective factor on Health-Related Quality of Life’s psychological dimensions among adolescents who experience peer victimization
Authors: Martín-Pérez Ángela de Lourdes , Morán-Sánchez Inés , Gascón-Cánovas Juan José
Published: November 2022

Peer victimization have a negative impact on Health-Related Quality of Life (HRQoL) during adolescence, however some personal skills such a person's resilience could play a significant role in this relationship. In this context, this study aims to analyse if resilience is a moderator of the relation between peer victimization and HRQoL’s psychological dimensions. Sociodemographic data, peer victimization, psychological domains of HRQoL and resilience were measures in a sample of 1428 secondary school students using the following scales: “Adolescent Peer Relations Instrument-Bullying”, “KIDSCREEN-52” and “Brief Resilient Coping Scale. Different multivariate analyses were carried out using linear regression. PROCESS tool was used to examine the moderating role of resilience, with John-Neyman post-hoc approach to quantify moderation. Results suggest that resilience could moderate the association between physical (β =  − 0.0021; p = 0.025) and verbal victimization (β =  − 0.0018; p = 0.024) and the “Mood and Emotions” dimension of adolescents’ HRQoL. Nevertheless, this regulating influence appears to be faint (∆R2 0.004). Resilience showed no moderating effect between social victimization and psychological dimensions of HRQoL. We concluded that resilience could function as a protective factor that weakly regulates the negative association between physical and verbal victimization and the psychological sphere of adolescents’ HRQoL.
The diel vertical distribution and carbon biomass of the zooplankton community in the Caroline Seamount area of the western tropical Pacific Ocean
Authors: Tao Zhencheng , Xian Haochen , Luan Zhendong , Nan Feng , Wang Yanqing , Sun Song
Published: November 2022

Zooplankton can affect and regulate the biological carbon pump in the biogeochemical cycles of marine ecosystems through diel vertical migration (DVM) behaviour. The diel vertical distribution and migration of a zooplankton community were studied at a continuous survey station in the Caroline Seamount area of the western tropical Pacific Ocean. Using a MultiNet sampling system, 346 zooplankton species/taxa were collected and identified. The vertical distribution patterns of abundance and composition of the zooplankton community differed between daytime and nighttime. The highest biodiversity index occurred in the 100–200-m ocean depth layer, but some zooplankton species remained in the deep-water layer below 300 m. The DVM patterns of the various dominant species differed, even when the species belonged to the same order or family. Dissolved oxygen and seawater temperature were the main environmental factors affecting the diel vertical distribution of the zooplankton community. The oxygen minimum zone was identified as performing the dual role of “ecological barrier” and “refuge” for zooplankton. The active carbon flux mediated by the zooplankton DVM in the Caroline Seamount area was 14.5 mg C/(m2·d). Our findings suggest that zooplankton DVM can affect and mediate the biological carbon pump in the Caroline Seamount area.
The relationship between structural analysis of the hand and clinical characteristics in psoriatic arthritis
Authors: Pfeil Alexander , Heinz Marcus , Hoffmann Tobias , Weise Tobias , Renz Diane M. , Franz Marcus , Malich Ansgar , Driesch Dominik , Oelzner Peter , Wolf Gunter , Böttcher Joachim
Published: November 2022

Up to now, there is only limited information available on a possible relationship between clinical characteristics and the mineralization of metacarpal bones and finger joint space distance (JSD) in patients with psoriatic arthritis (PsA). Computerized digital imaging techniques like digital X-ray radiogrammetry (DXR) and computer-aided joint space analysis (CAJSA) have significantly improved the structural analysis of hand radiographs and facilitate the recognition of radiographic damage. The objective of this study was to evaluate clinical features which potentially influence periarticular mineralization of the metacarpal bones and finger JSD in PsA-patients. 201 patients with PsA underwent computerized measurements of the metacarpal bone mineral density (BMD) with DXR and JSD of all finger joints by CAJSA. DXR-BMD and JSD were compared with clinical features such as age and sex, disease duration, C-reactive protein (CRP) as well as treatment with prednisone and disease-modifying antirheumatic drugs (DMARDs). A longer disease duration and an elevated CRP value were associated with a significant reduction of DXR-BMD, whereas JSD-parameters were not affected by both parameters. DXR-BMD was significantly reduced in the prednisone group (–0.0383 g/cm²), but prednisone showed no impact on finger JSD. Patients under the treatment with bDMARDs presented significant lower DXR-BMD (–0.380 g/cm²), JSDMCP (–0.0179 cm), and JSDPIP (–0.0121 cm) values. Metacarpal BMD was influenced by inflammatory activity, prednisone use, and DMARDs. In contrast, finger JSD showed only a change compared to baseline therapy. Therefore, metacarpal BMD as well as finger JSD represent radiographic destruction under different aspects.
The number of examinations required for the accurate prediction of the progression of the central 10-degree visual field test in glaucoma
Authors: Omoto Takashi , Asaoka Ryo , Akagi Tadamichi , Oishi Akio , Miyata Manabu , Murata Hiroshi , Fujino Yuri , Hirasawa Kazunori , Inoue Tatsuya , Tanito Masaki , Shoji Nobuyuki
Published: November 2022

The purpose of the study was to investigate the number of examinations required to precisely predict the future central 10-degree visual field (VF) test and to evaluate the effect of fitting non-linear models, including quadratic regression, exponential regression, logistic regression, and M-estimator robust regression model, for eyes with glaucoma. 180 eyes from 133 open angle glaucoma patients with a minimum of 13 Humphrey Field Analyzer 10-2 SITA standard VF tests were analyzed in this study. Using trend analysis with ordinary least squares linear regression (OLSLR), the first, second, and third future VFs were predicted in a point-wise (PW) manner using a varied number of prior VF sequences, and mean absolute errors (MAE) were calculated. The number of VFs needed to reach the minimum 95% confidence interval (CI) of the MAE of the OLSLR was investigated. We also examined the effect of applying other non-linear models. When predicting the first, second, and third future VFs using OLSLR, the minimum MAE was obtained using VF1–12 (2.15 ± 0.98 dB), VF1–11 (2.33 ± 1.10 dB), and VF1–10 (2.63 ± 1.36 dB), respectively. To reach the 95% CI of these MAEs, 10, 10, and 8 VFs were needed for the first, second and third future VF predictions, respectively. No improvement was observed by applying non-linear regression models. As a conclusion, approximately 8–10 VFs were needed to achieve an accurate prediction of PW VF sensitivity of the 10-degree central VF.
Machine learning based personalized drug response prediction for lung cancer patients
Authors: Qureshi Rizwan , Basit Syed Abdullah , Shamsi Jawwad A. , Fan Xinqi , Nawaz Mehmood , Yan Hong , Alam Tanvir
Published: November 2022

Lung cancers with a mutated epidermal growth factor receptor (EGFR) are a major contributor to cancer fatalities globally. Targeted tyrosine kinase inhibitors (TKIs) have been developed against EGFR and show encouraging results for survival rate and quality of life. However, drug resistance may affect treatment plans and treatment efficacy may be lost after about a year. Predicting the response to EGFR-TKIs for EGFR-mutated lung cancer patients is a key research area. In this study, we propose a personalized drug response prediction model (PDRP), based on molecular dynamics simulations and machine learning, to predict the response of first generation FDA-approved small molecule EGFR-TKIs, Gefitinib/Erlotinib, in lung cancer patients. The patient’s mutation status is taken into consideration in molecular dynamics (MD) simulation. Each patient’s unique mutation status was modeled considering MD simulation to extract molecular-level geometric features. Moreover, additional clinical features were incorporated into machine learning model for drug response prediction. The complete feature set includes demographic and clinical information (DCI), geometrical properties of the drug-target binding site, and the binding free energy of the drug-target complex from the MD simulation. PDRP incorporates an XGBoost classifier, which achieves state-of-the-art performance with 97.5% accuracy, 93% recall, 96.5% precision, and 94% F1-score, for a 4-class drug response prediction task. We found that modeling the geometry of the binding pocket combined with binding free energy is a good predictor for drug response. However, we observed that clinical information had a little impact on the performance of the model. The proposed model could be tested on other types of cancers. We believe PDRP will support the planning of effective treatment regimes based on clinical-genomic information. The source code and related files are available on GitHub at:  https://github.com/rizwanqureshi123/PDRP/.
Multimodal machine learning in precision health: A scoping review
Authors: Kline Adrienne , Wang Hanyin , Li Yikuan , Dennis Saya , Hutch Meghan , Xu Zhenxing , Wang Fei , Cheng Feixiong , Luo Yuan
Published: November 2022

Machine learning is frequently being leveraged to tackle problems in the health sector including utilization for clinical decision-support. Its use has historically been focused on single modal data. Attempts to improve prediction and mimic the multimodal nature of clinical expert decision-making has been met in the biomedical field of machine learning by fusing disparate data. This review was conducted to summarize the current studies in this field and identify topics ripe for future research. We conducted this review in accordance with the PRISMA extension for Scoping Reviews to characterize multi-modal data fusion in health. Search strings were established and used in databases: PubMed, Google Scholar, and IEEEXplore from 2011 to 2021. A final set of 128 articles were included in the analysis. The most common health areas utilizing multi-modal methods were neurology and oncology. Early fusion was the most common data merging strategy. Notably, there was an improvement in predictive performance when using data fusion. Lacking from the papers were clear clinical deployment strategies, FDA-approval, and analysis of how using multimodal approaches from diverse sub-populations may improve biases and healthcare disparities. These findings provide a summary on multimodal data fusion as applied to health diagnosis/prognosis problems. Few papers compared the outputs of a multimodal approach with a unimodal prediction. However, those that did achieved an average increase of 6.4% in predictive accuracy. Multi-modal machine learning, while more robust in its estimations over unimodal methods, has drawbacks in its scalability and the time-consuming nature of information concatenation.
MACHETE identifies interferon-encompassing chromosome 9p21.3 deletions as mediators of immune evasion and metastasis
Authors: Barriga Francisco M. , Tsanov Kaloyan M. , Ho Yu-Jui , Sohail Noor , Zhang Amy , Baslan Timour , Wuest Alexandra N. , Del Priore Isabella , Meškauskaitė Brigita , Livshits Geulah , Alonso-Curbelo Direna , Simon Janelle , Chaves-Perez Almudena , Bar-Sagi Dafna , Iacobuzio-Donahue Christine A. , Notta Faiyaz , Chaligne Ronan , Sharma Roshan , Pe’er Dana , Lowe Scott W.
Published: November 2022

The most prominent homozygous deletions in cancer affect chromosome 9p21.3 and eliminate CDKN2A/B tumor suppressors, disabling a cell-intrinsic barrier to tumorigenesis. Half of 9p21.3 deletions, however, also encompass a type I interferon (IFN) gene cluster; the consequences of this co-deletion remain unexplored. To functionally dissect 9p21.3 and other large genomic deletions, we developed a flexible deletion engineering strategy, MACHETE (molecular alteration of chromosomes with engineered tandem elements). Applying MACHETE to a syngeneic mouse model of pancreatic cancer, we found that co-deletion of the IFN cluster promoted immune evasion, metastasis and immunotherapy resistance. Mechanistically, IFN co-deletion disrupted type I IFN signaling in the tumor microenvironment, leading to marked changes in infiltrating immune cells and escape from CD8+ T-cell surveillance, effects largely driven by the poorly understood interferon epsilon. These results reveal a chromosomal deletion that disables both cell-intrinsic and cell-extrinsic tumor suppression and provide a framework for interrogating large deletions in cancer and beyond.
Preparation of iminosugars from aminopolyolsviaselective oxidation using galactose oxidase
Authors: Yeow Kathryn , Haarr Marianne B. , Muldoon Jimmy , O'Reilly Elaine
Published: November 2022

Selective oxidation of minimally protected aminopolyols, using galactose oxidase variant F2, affords biologically relevant iminosugars.
Improvement of (S)-selective imine reductase GF3546 for the synthesis of chiral cyclic amines
Authors: Fukawa Yuta , Yoshida Keita , Degura Sayaka , Mitsukura Koichi , Yoshida Toyokazu
Published: November 2022

Imine reductase (IRED) from Streptomyces sp. GF3546, one of the first IREDs, was engineered and showed excellent performance at a high concentration of 2-methyl-1-pyrroline and high thermostability at 50 °C.
Fundamentals and applications of N-heterocyclic carbene functionalized gold surfaces and nanoparticles
Authors: Kaur Gurkiran , Thimes Rebekah L. , Camden Jon P. , Jenkins David M.
Published: November 2022

Improved stability and higher degree of synthetic tunability has allowed N-heterocyclic carbenes to supplant thiols as ligands for gold surface functionalization.  This review article summarizes the basic science and applications of NHCs on gold.
Electronic, steric and catalytic properties of N-heterocyclic carbene rhodium(i) complexes linked to (metallo)porphyrins
Authors: Poyac Ludivine , Scoditti Stefano , Dumail Xavier , Granier Michel , Clément Sébastien , Gramage-Doria Rafael , Devillers Charles H. , Richeter Sébastien
Published: November 2022

NHC-Rh(i) complexes with porphyrin wingtips are capable of cation-tunable reactivity suggesting the existence of a cooperative effect between Rh and M.
Asymmetric chlorination of A2–A1–D–A1–A2 type non-fullerene acceptors for high-voltage organic photovoltaics
Authors: Cong Peiqing , Li Xianda , Tang Ailing , Wu Jiang , Chen Jianhua , Chen Lie , Zhou Erjun
Published: November 2022

We synthesized the first asymmetric A2–A1–D–A1–A2 type small molecule nonfullerene acceptor, HCl-BTA3, by chlorination on one side of the A1 unit, yielding a high open-circuit voltage of 1.20 V and a satisfactory power conversion efficiency of 11.2%.
Prediction of metastable zone widths of ammonium sulphate: modification of the nucleation potential model in an electrolyte system
Authors: Xue Yunna , Yan Yizhen , Si Zehao , Zhang Qi , Yang Huaiyu , Zhang Xiangyang , Zhou Xinggui
Published: November 2022

The metastable zone widths of ammonium sulphate in aqueous solution during cooling crystallization were predicted by modifying of the nucleation potential model in an electrolyte system.
Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(iii) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid
Authors: Zhong Yun-Jing , Zhu Yu-Ying , Mo Jin-Lin , Ye Sheng-Lan , Luo Wen-Dan , Huang Xin , Chen Wen-Bin , Dong Wen
Published: November 2022

Mononuclear, dinuclear and tetranuclear dysprosium(iii) complexes [Et3NH]3[Dy(HATNA)3]·5H2O (1), [Dy2(HATNA)3(DMF)(H2O)]·2DMF·CH3OH·2H2O (2) and [Et3NH]6[Dy4(ATNA)6(H2O)2]·DMF·2CH3CN·8H2O (3) were synthesized and characterized.
Ultrafast chirality: the road to efficient chiral measurements
Authors: Ayuso David , Ordonez Andres F. , Smirnova Olga
Published: November 2022

Two roads in the electric–dipole revolution in chiral measurements.
Pulse length dependence of photoelectron circular dichroism
Authors: Lee Han-gyeol , Ranecky Simon T. , Vasudevan Sudheendran , Ladda Nicolas , Rosen Tonio , Das Sagnik , Ghosh Jayanta , Braun Hendrike , Reich Daniel M. , Senftleben Arne , Baumert Thomas
Published: November 2022

We investigated photoelectron circular dichroism (PECD) using pulses with various durations. From the experiment with fenchone, we found constancy of the PECD over a wide range of pulse durations and estimated lifetimes of internal conversions.
Dynamics of core-excited ammonia: disentangling fragmentation pathways by complementary spectroscopic methods
Authors: Travnikova Oksana , Hosseini Farzad , Marchenko Tatiana , Guillemin Renaud , Ismail Iyas , Moussaoui Roba , Journel Loïc , Milosavljević Aleksandar R. , Bozek John D. , Kukk Edwin , Püttner Ralph , Piancastelli Maria Novella , Simon Marc
Published: November 2022

Combining resonant Auger spectroscopy and electron–ion coincidence measurements, the complex relaxation patterns of core-excited ammonia are revealed. Decay processes leading to the same fragment but with different timescales are enlightened.
Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison
Authors: Sanches de Araújo Adalberto V. , Marques Leandro R. , Borin Antonio C. , Ando Rômulo A.
Published: November 2022

TDDFT and XMS-CASPT2 methods were applied to simulate the vibronic and resonance Raman (RR) spectra of a push–pull model system, 4-nitroaniline (pNA) and its anion ([pNA]−), within the Independent Mode Displaced Harmonic Oscillator (IMDHO) model.
Ultra-high reversible hydrogen storage capacity of the Li4B2cluster: a quantum chemical study
Authors: Sarmah Kangkan , Rohman Shahnaz S. , Purkayastha Siddhartha K. , Kalita Amlan J. , Guha Ankur K.
Published: November 2022

Quantum chemical calculations reveal that the Li4B2cluster is a promising candidate for ultrahigh hydrogen storage.
Electron diffraction of 1,4-dichlorobenzene embedded in superfluid helium droplets
Authors: Bradford Stephen D. , Ge Yingbin , Zhang Jie , Trejo Marisol , Tronrud Dale , Kong Wei
Published: November 2022

Electron diffraction of 1,4-dichlorobenzene (C6H4Cl2) clusters embedded in superfluid helium droplets, resulting in the structure evolution of cluster growth.
Ultrathroughput immunomagnetic cell sorting platform
Authors: Philpott David N. , Chen Kangfu , Atwal Randy S. , Li Derek , Christie Jessie , Sargent Edward H. , Kelley Shana O.
Published: November 2022

High-throughput phenotypic cell sorting is critical to the development of cell-based therapies and cell screening discovery platforms.
Nitriles: an attractive approach to the development of covalent inhibitors
Authors: Bonatto Vinícius , Lameiro Rafael F. , Rocho Fernanda R. , Lameira Jerônimo , Leitão Andrei , Montanari Carlos A.
Published: November 2022

This review highlights the roles of nitriles in covalent inhibitors, their reactivity, examples of pharmaceuticals containing the cyano group and recent developments of nitrile-based inhibitors.
pH-Controlled enantioselectivity switching of irregular photodimers in photocyclodimerization of 2-anthracenecarboxylic acid mediated with β-cyclodextrin derivatives
Authors: Kanagaraj Kuppusamy , Ji Jiecheng , Rao Ming , Fan Chunying , Xiao Chao , Zhou Dayang , Wu Wanhua , Selvapalam Narayanan , Yu Yang , Yang Cheng
Published: November 2022

β-CDx derivatives invert the stereochemical outcome of syn-head-to-tail-photodimers, upon changing solution pH, solving the problem of antipodal-chiral hosts not being available.
All-in-one Cu-mediated Ag-assembled nanocomposites for photothermal-assisted photo/chemical dynamic therapy with hypoxia relief and enhanced reactive oxygen species
Authors: Zhou Ping , Zhang Xianming , Yu Qinghua , Yang Shiyu , Xia Jiashan , Deng Tao , Yu Chao
Published: November 2022

A multimodal anti-tumor nano-agent enhanced the efficiency of photodynamic therapy via photothermal therapy, alleviating hypoxia and Cu2+-mediated reactions.
Research progress in cyan and blue phosphors
Authors: Chang Yu , Liu Bin , Liu Zongming , Li Jinkai
Published: November 2022

Cyan and blue phosphors have great application potential in lighting, displays and other fields.
Effects of regioisomeric BODIPY-C60bis-cycloadducts on the generation of singlet oxygen
Authors: Öztürk Gündüz Ezel , Okutan Elif
Published: November 2022

In this study, the first examples of bis-adduct BODIPY-C60derivatives bearing glucose moieties for active targeting were synthesized as heavy-atom-free triplet photosensitizers.
Chemical and morphological characterization of the anodic oxidation of n-GaN in inorganic electrolytes
Authors: Shushanian Artem , Iida Daisuke , Han Yu , Ohkawa Kazuhiro
Published: November 2022

To study the nature of electrochemical property of III-nitrides, we examined here the behaviour of a n-GaN anodic oxidation reaction within a voltage range of 5–20 V in inorganic electrolytes as the pH value varied from 0 to 13.
Tailoring the MOF structure via ligand optimization afforded a dandelion flower like CoS/Co–Nx/CoNi/NiS catalyst to enhance the ORR/OER in zinc–air batteries
Authors: Gopalakrishnan Mohan , Etesami Mohamad , Theerthagiri Jayaraman , Choi Myong Yong , Wannapaiboon Suttipong , Nguyen Mai Thanh , Yonezawa Tetsu , Kheawhom Soorathep
Published: November 2022

Tailoring the MOF structure through ligand optimization and MOF derived electrocatalyst exhibit excellent ORR/OER kinetics and ZABs performance due to the synergetic effects of the CoNi alloys and the N and S-incorporated carbon skeleton.
Recent advances in photochemical construction of aromatic C–P bonds via C–hetero bond cleavage
Authors: Dou Qian , Wang Taimin , Cheng Bin , Li Chao-Jun , Zeng Huiying
Published: November 2022

Photochemical C–P bond cross-coupling in aromatics via C–X (X = F, Cl, Br, I), C–N bond and C–O bond cleavages with/without photosensitizer were summarized in this review.
Structure revision and chemical synthesis of ligandrol's main bishydroxylated long-term metabolic marker
Authors: Pitsinos Emmanuel N. , Angelis Yiannis S. , Petrou Michael
Published: November 2022

An important metabolic marker for the detection of a WADA-banned anabolic agent is structurally revised. It can now be secured efficiently through chemical manipulations of the parent drug thus greatly facilitating further related studies.
Formal insertion of selenoketenes into donor–acceptor cyclopropanes: mesomeric alkynylselenolates as key starting materials
Authors: Jacob Anu , Jones Peter G. , Werz Daniel B.
Published: November 2022

The mesomerism of deprotonated selenoketene to deprotonated alkynylselenol is exploited to formally insert a selenoketene into donor–acceptor cyclopropanes.
Gold nanoparticle decorated dithiocarbamate modified natural boehmite as a catalyst for the synthesis of biologically essential propargylamines
Authors: Zarenezhad Elham , Taghavi Reza , Kamrani Parisa , Farjam Mojtaba , Rostamnia Sadegh
Published: November 2022

Here, we prepare an Au NP decorated dithiocarbamate functionalized boehmite (γ-AlO(OH)@C-NHCS2H·AuNPs).
Nano-optical method for transforming a single yeast cell using exogenous genes
Authors: Huang Yao-Xiong , Yang Ji-Wang , Wang Zhuo
Published: November 2022

We report a highly efficient nano-optical method for transforming a single yeast cell using exogenous genes.
Photophysics of tetracarboxy-zinc phthalocyanine photosensitizers
Authors: Potlog Tamara , Popusoi Ana , Lungu Ion , Robu Stefan , Bulimestru Ion
Published: November 2022

A ZnPc(COOH)4/Fe3O4/Ch photosensitizer was synthesized by immobilization of ZnPc(COOH)4 onto Fe3O4/chitosan nanoparticles by a simple immersion method.
Bioevaluation of magnetic mesoporous silica rods: cytotoxicity, cell uptake and biodistribution in zebrafish and rodents
Authors: Grzelak Jan , Teles Mariana , Roher Nerea , Grayston Alba , Rosell Anna , Gich Martí , Roig Anna
Published: November 2022

MSR as multimodal imaging agents could be safely exposed to zebrafish larvae in high concentrations. Their high accumulation in rodents' livers could open new avenues of rod-shaped particles in pathological fibrotic liver conditions.
Evidence of a reversible redox reaction in a liquid-electrolyte-type fluoride-ion battery
Authors: Yaokawa Ritsuko , Shiga Tohru , Moribe Shinya , Mukai Kazuhiko
Published: November 2022

Fluoride-ion batteries (FIBs) is a promising alternative to conventional lithium-ion batteries, but a reversible redox reaction has not yet been confirmed. Structural and compositional analyses revealed the reversible redox reaction, aiding further development of FIBs.
Kinetic model for the dehydration of xylose to furfural from a boronate diester precursor
Authors: Ricciardi Luca , Verboom Willem , Lange Jean-Paul , Huskens Jurriaan
Published: November 2022

The dehydration kinetics of xylose from its boronate diester is modeled. Insight is provided into the effects of solvent polarity, ionic strength, phase partitioning and mixing, in both mono and biphasic systems.
Retraction: Eosin Y catalysed photoredox synthesis: a review
Authors: Srivastava Vishal , Singh Praveen P.
Published: November 2022

Retraction of ‘Eosin Y catalysed photoredox synthesis: a review’ by Vishal Srivastava et al., RSC Adv., 2017, 7, 31377–31392, https://doi.org/10.1039/C7RA05444K.
Correction: Electrochemical creatinine detection for advanced point-of-care sensing devices: a review
Authors: Gonzalez-Gallardo Carlos Luis , Arjona Noé , Álvarez-Contreras Lorena , Guerra-Balcázar Minerva
Published: November 2022

Correction for ‘Electrochemical creatinine detection for advanced point-of-care sensing devices: a review’ by Carlos Luis Gonzalez-Gallardo et al., RSC Adv., 2022, 12, 30785–30802, https://doi.org/10.1039/D2RA04479J.
Sonopharmacology: controlling pharmacotherapy and diagnosis by ultrasound-induced polymer mechanochemistry
Authors: Yildiz Deniz , Göstl Robert , Herrmann Andreas
Published: November 2022

Ultrasound is an important tool for diagnostic and therapeutic purposes in the clinic. We here survey recent efforts to exploit the principles of polymer mechanochemistry for ultrasound-guided drug delivery and activation – sonopharmacology.
Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies
Authors: Liu Hui , Ren Dan-Dan , Gao Peng-Fu , Zhang Kun , Wu Ya-Pan , Fu Hong-Ru , Ma Lu-Fang
Published: November 2022

A pair of chiral coordination polymers were synthesized via reticular chemistry, exhibiting multicolor-tunable RTP and excitation-dependent CPL, and showing the multiple anti-counterfeiting. It provides a new way to prepare chiral optical materials.
Unravelling and quantifying the aging processes of commercial Li(Ni0.5Co0.2Mn0.3)O2/graphite lithium-ion batteries under constant current cycling
Authors: Guo Jia , Jin Siyu , Sui Xin , Huang Xinrong , Xu Yaolin , Li Yaqi , Kristensen Peter Kjær , Wang Deyong , Pedersen Kjeld , Gurevich Leonid , Stroe Daniel-Ioan
Published: November 2022

Constant current charging and discharging is widely used nowadays for commercial lithium (Li) ion batteries (LIBs) in applications of portable electronic devices and electric vehicles.
A glutamate anion boosted zinc anode for deep cycling aqueous zinc ion batteries
Authors: Liu Yu , Wang Junhui , Sun Jianguo , Xiong Fangyu , Liu Qin , An Yongkang , Shen Lei , Wang John , An Qinyou , Mai Liqiang
Published: November 2022

A dilute glutamate anion is introduced to form an in situ SEI-protected Zn anode, it exhibits stronger corrosion resistance and more nucleation sites, leading to superior reversibility of Zn plating/stripping and remarkable cycle stability.
Rational ensemble design of alloy catalysts for selective ammonia oxidation based on machine learning
Authors: Yang Jiaqiang , Wang Zhaojie , Liu Zhang , Wang Qingbo , Wen Yanwei , Zhang Aimin , Chen Rong , Shan Bin
Published: November 2022

High-throughput computation and machine learning studies are conducted for the rational design of ensembles of alloy catalysts for selective catalytic oxidation of NH3 (NH3-SCO).
A phenazine-conjugated microporous polymer-based quartz crystal microbalance for sensitive detection of formaldehyde vapors at room temperature: an experiment and density functional theory study
Authors: Kotp Mohammed G. , Torad Nagy L. , Lüder Johann , El-Amir Ahmed A. M. , Chaikittisilp Watcharop , Yamauchi Yusuke , EL-Mahdy Ahmed F. M.
Published: November 2022

Conjugated microporous polymers (CMPs) are a prospective class of porous materials that are promising in a wide variety of applications due to their outstanding physical and chemical properties.
Modulating the water gas shift reaction via strong interfacial interaction between a defective oxide matrix and exsolved metal nanoparticles
Authors: Chen Huijun , Huang Rui , Jang Myeong Gon , Lim Chaesung , Shin Dongjae , Liu Qiuyu , Yang Heejae , Chen Yan , Han Jeong Woo
Published: November 2022

Perovskite oxides with exsolved metal nanoparticles have recently attracted great attention because of their outstanding activity and stability at elevated temperature.
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties
Authors: Rotem Rany , Giustra Marco , Arrigoni Federica , Bertolini Jessica A. , Garbujo Stefania , Rizzuto Maria A. , Salvioni Lucia , Barbieri Linda , Bertini Luca , De Gioia Luca , Colombo Miriam , Prosperi Davide
Published: November 2022

Removal of polymer excess in NPs suspension causing colloidal instability. Multidentate polymer is a solution to avoid this critical phenomenon in the application of nanotechnology.
Povidone–iodine enhanced underwater tape
Authors: Song Zhihang , Gu Shiyu , Tang Tian , Wu Jinrong
Published: November 2022

By simply blending a bactericidal material with the polymer matrix, a novel underwater tape with antibacterial and easy peeling properties was fabricated.
Phase rearrangement for minimal exciton loss in a quasi-2D perovskite toward efficient deep-blue LEDs via halide post-treatment
Authors: Shin Yun Seop , Yoon Yung Jin , Adhikari Aniruddha , Cho Hye Won , Song Taehee , Park Chan Beom , Son Jung Geon , Kim Gi-Hwan , Kwon Oh-Hoon , Kim Jin Young
Published: November 2022

With a facile halide and phase modulating approach, deep-blue emissive quasi-2D perovskite films involving fewer intervening 2D phases are realized, for efficient delivery of excitons to light-emitting phases via streamlined energy transfer.
Tensor decomposition based networks for nuclei segmentation and classification
Authors: Chen Jinhao , Chen Zhao
Published: November 2022

Nuclei segmentation and classification for Haematoxylin & Eosin stained histology images is a challenging task because of many issues, large intra‐class variability among nuclei, overlapping nuclei etc. Most of the existing methods require large computation to improve the accuracy. Moreover, the learned features in deep networks are high dimensional compared to the input microscopy images. Thus, the discriminative features may lie in low dimensional subspaces, which can be recovered by tensor analysis methods such as Tucker decomposition. Therefore, we propose two novel modules, Tucker Decomposition and Convolution Combined (TuCo) module and Tucker Decomposition and Deformable Convolution Combined (TuDe) module, for nuclei segmentation and classification. They are designed to extract the nuclear geometric information and low‐rank features, and can be plugged into existing backbones. Thus, we design TuCo‐Net and TuDe‐Net. Experimental results validate the effectiveness of the proposed networks. The code and optimized models will be available at https://github.com/dark‐ai/TuCo‐Net‐and‐TuDe‐Net.
Analytical model of a fractional slot double‐layer‐winding vernier permanent magnet machine
Authors: Wang Weibing , Cheng Ming
Published: November 2022

This study presents an analytical model (ANA) for predicting magnetic field and performances of a fractional slot (FS) double‐layer‐winding (DLW) vernier permanent magnet (VPM) machine. Magnetic vector potential equations of a FS DLW VPM machine are analytically solved by the technique of variable separation in three subdomains, that is, regions of permanent magnets (PM), air‐gap, and slots in 2‐D polar coordinate system. Field distributions and performances, such as flux linkage, electromotive force (EMF), torque and inductance of a FS DLW VPM machine are developed. Results from ANA of an 18‐slot/2‐stator‐pole‐pair FS DLW VPM machine prototype have been compared with those from finite element analysis (FEA), which indicates that ANA has a huge advantage in the computing speed in addition to a good accuracy. In the end, a prototype is built and its EMF and torque are tested in experiment platforms in which the results verify ANA. The necessity and importance of the research is that the model is an analytical method which provides a close solution of magnetic field and performances of a FS DLW VPM machine and its calculation time is much less than FEA on the base of a good precision.
Examining the feasibility of current spiral curve design controls for LiDAR‐based automated vehicles
Authors: Wang Shuyi , Mao Chengyang , Ma Yang , Liu Jinzhou , Yu Bin
Published: November 2022

Enabling large‐scale deployment of automated vehicles (AVs) in the near future requires answering the question firstly: whether AVs could safely adapt to as‐built road geometry? This study aims to examine the feasibility of current spiral curve design controls for LiDAR‐based AVs (LAVs) from the perspective of the available sight distance (ASD). A series of tests featuring the design speed (Vd), lengths of tangent (LT) and spiral (LS), circular curve radii (R), and point thresholds for detection (NT) were simulated in PreScan/MATLAB/Simulink co‐simulation platform. The ASDs affected by those parameters’ combined effects were analyzed and compared with required stopping sight distances (RSDs) of human‐driven vehicles (HVs) and level 3 to 5 (L3–L5) LAVs followed by proposing the ASD‐oriented safe speeds and the corresponding speed limits. The results indicate that: (1) the combination of the tangent‐spiral curve‐circular curve causes a shorter ASD than that without the spiral curve; (2) a longer spiral curve causes a shorter ASD; and (3) only a low‐type combination of R, LS, Vd conditions is feasible for L3 LAVs while L4 or L5 LAVs have difficulties in dealing with high‐type conditions. These findings help understand the ASD for AVs and provide safety‐critical speed references for administrators.
Synthesis of thorium and uranium in asymptotic giant branch stars
Authors: Choplin A. , Goriely S. , Siess L.
Published: November 2022

Context.The intermediate neutron capture process (i-process) operates at neutron densities between those of the slow and rapid neutron-capture processes. It is believed to be triggered by the ingestion of protons in a convective helium-burning region. One possible astrophysical site is low-mass low-metallicity asymptotic giant branch (AGB) stars.

Aims.Although it has been widely believed that actinides, and most particularly Th and U, are exclusively produced by explosiver-process nucleosynthesis, we study here the possibility that actinides may also be significantly synthesized throughi-process nucleosynthesis in AGB stars.

Methods.We computed a 1M⊙model at [Fe/H] = −2.5 with the stellar evolution code STAREVOL. We used a nuclear network of 1160 species from H to Cf coupled to the transport processes. Models of various resolutions (temporal and spatial) that use different nuclear datasets are also considered for the analysis.

Results.During the proton ingestion event, the neutron density in our AGB model goes up to ∼1015cm−3and is shown to be high enough to give rise to the production of actinides. While most of the nuclear flow cycles in the neutron-rich Pb–Bi–Po region, a non-negligible fraction leaks towards heavier elements and eventually synthesizes actinides. The surface enrichment in Th and U is subject to nuclear and astrophysical model uncertainties that could be lowered in the future, in particular by a detailed analysis of the nuclear inputs that affect the neutron capture rates of neutron-rich isotopes between Pb and Pa, along thei-process path. One stellar candidate that may confirm the production of actinides by thei-process is the carbon-enhanced metal-poor (CEMP)r/sstarRAVE J094921.8−161722, which shows Th lines in its spectrum. Its surface abundance is shown to be reasonably well reproduced by our AGB model, though abundances of lightN ≃ 50 elements remain underestimated. Combined with cosmochronometry, this finding opens the way to dating thei-process event and thus obtaining a lower limit for the age of CEMP-r/sstars. Such a dating is expected to be accurate only if surface abundances of Th and U can be extracted simultaneously.

Conclusions.We show that actinides can be synthesized in low-metallicity low-mass AGB stars through thei-process. This astrophysical site therefore potentially contributes to the Galactic enrichment of Th and U, which demonstrates that ther-process may not be the sole mechanism for the production of U and Th.