bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural diversity of p63 and p73 isoforms
Authors: Osterburg Christian , Dötsch Volker
Published: March 2022

The p53 protein family is the most studied protein family of all. Sequence analysis and structure determination have revealed a high similarity of crucial domains between p53, p63 and p73. Functional studies, however, have shown a wide variety of different tasks in tumor suppression, quality control and development. Here we review the structure and organization of the individual domains of p63 and p73, the interaction of these domains in the context of full-length proteins and discuss the evolutionary origin of this protein family.

Facts

Distinct physiological roles/functions are performed by specific isoforms.

The non-divided transactivation domain of p63 has a constitutively high activity while the transactivation domains of p53/p73 are divided into two subdomains that are regulated by phosphorylation.

Mdm2 binds to all three family members but ubiquitinates only p53.

TAp63α forms an autoinhibited dimeric state while all other vertebrate p53 family isoforms are constitutively tetrameric.

The oligomerization domain of p63 and p73 contain an additional helix that is necessary for stabilizing the tetrameric states. During evolution this helix got lost independently in different phylogenetic branches, while the DNA binding domain became destabilized and the transactivation domain split into two subdomains.

Open questions

Is the autoinhibitory mechanism of mammalian TAp63α conserved in p53 proteins of invertebrates that have the same function of genomic quality control in germ cells?

What is the physiological function of the p63/p73 SAM domains?

Do the short isoforms of p63 and p73 have physiological functions?

What are the roles of the N-terminal elongated TAp63 isoforms, TA* and GTA?
The role of dietary sugars, overweight, and obesity in type 2 diabetes mellitus: a narrative review
Authors: Veit Meike , van Asten Renske , Olie Andries , Prinz Philip
Published: March 2022

Nowadays, there is still a popular belief that dietary sugars, in particular sucrose, are directly linked to the development of type 2 diabetes mellitus (T2DM). Furthermore, since insulin action is impaired in T2DM, it is still believed that excluding dietary sugars from the diet can adequately treat T2DM. This might be based on the assumption that dietary sugars have a stronger impact on blood glucose levels than other carbohydrates. Therefore, the aim of this review is to discuss the effects of dietary sugars intake, including sugar-sweetened beverages (SSBs) against the background of overall energy intake and weight gain in the development of T2DM. Furthermore, the effect of dietary sugars, including SSBs on glycemic control will be discussed. Results from various systematic reviews and meta-analyses do not support the idea that the intake of sucrose and other dietary sugars is linked to T2DM. Long-chain or complex carbohydrates can have a greater impact on postprandial glycemic response than sucrose. SSBs do not affect glycemic control if substituted for other calorie sources. Current scientific evidence clearly points toward excess energy intake followed by excess body fat gain being most relevant in the development of T2DM.
Transcriptional analysis of peripheral memory T cells reveals Parkinson’s disease-specific gene signatures
Authors: Dhanwani Rekha , Lima-Junior João Rodrigues , Sethi Ashu , Pham John , Williams Gregory , Frazier April , Xu Yaqian , Amara Amy W. , Standaert David G. , Goldman Jennifer G. , Litvan Irene , Alcalay Roy N. , Peters Bjoern , Sulzer David , Arlehamn Cecilia S. Lindestam , Sette Alessandro
Published: March 2022

Parkinson’s disease (PD) is a multi-stage neurodegenerative disorder with largely unknown etiology. Recent findings have identified PD-associated autoimmune features including roles for T cells. To further characterize the role of T cells in PD, we performed RNA sequencing on PBMC and peripheral CD4 and CD8 memory T cell subsets derived from PD patients and age-matched healthy controls. When the groups were stratified by their T cell responsiveness to alpha-synuclein (α-syn) as a proxy for an ongoing inflammatory autoimmune response, the study revealed a broad differential gene expression profile in memory T cell subsets and a specific PD associated gene signature. We identified significant enrichment of transcriptomic signatures previously associated with PD, including for oxidative stress, phosphorylation, autophagy of mitochondria, cholesterol metabolism and inflammation, and the chemokine signaling proteins CX3CR1, CCR5, and CCR1. In addition, we identified genes in these peripheral cells that have previously been shown to be involved in PD pathogenesis and expressed in neurons, such as LRRK2, LAMP3, and aquaporin. Together, these findings suggest that features of circulating T cells with α-syn-specific responses in PD patients provide insights into the interactive processes that occur during PD pathogenesis and suggest potential intervention targets.
Dysregulated affective arousal regulates reward-based decision making in patients with schizophrenia: an integrated study
Authors: Liu Hong-Hsiang , Liu Chih-Min , Hsieh Ming H. , Chien Yi-Ling , Hsu Yung-Fong , Lai Wen-Sung
Published: March 2022

Schizophrenia is a chronic and severe mental disorder. Dysregulated decision-making and affective processing have been implicated in patients with schizophrenia (SZ) and have significant impacts on their cognitive and social functions. However, little is known about how affective arousal influences reward-based decision-making in SZ. Taking advantage of a two-choice probabilistic gambling task and utilizing three facial expressions as affective primes (i.e., neutral, angry, and happy conditions) in each trial, we investigated how affective arousal influences reward-related choice based on behavioral, model fitting, and feedback-related negativity (FRN) data in 38 SZ and 26 healthy controls (CTRL). We also correlated our measurements with patients’ symptom severity. Compared with the CTRL group, SZ expressed blunted responses to angry facial primes. They had lower total game scores and displayed more maladaptive choice strategies (i.e., less win-stay and more lose-shift) and errors in monitoring rewards. Model fitting results revealed that the SZ group had a higher learning rate and lower choice consistency, especially in the happy condition. Brain activity data further indicated that SZ had smaller amplitudes of FRN than their controls in the angry and happy conditions. Importantly, the SZ group exhibited attenuated affective influence on decision-making, and their impairments in decision-making were only correlated with their clinical symptoms in the angry condition. Our findings imply the affective processing is dysregulated in SZ and it is selectively involved in the regulation of choice strategies, choice behaviors, and FRN in SZ, which lead to impairments in reward-related decision-making, especially in the angry condition.
KRAS is vulnerable to reversible switch-II pocket engagement in cells
Authors: Vasta James D. , Peacock D. Matthew , Zheng Qinheng , Walker Joel A. , Zhang Ziyang , Zimprich Chad A. , Thomas Morgan R. , Beck Michael T. , Binkowski Brock F. , Corona Cesear R. , Robers Matthew B. , Shokat Kevan M.
Published: March 2022

Current small-molecule inhibitors of KRAS(G12C) bind irreversibly in the switch-II pocket (SII-P), exploiting the strong nucleophilicity of the acquired cysteine as well as the preponderance of the GDP-bound form of this mutant. Nevertheless, many oncogenic KRAS mutants lack these two features, and it remains unknown whether targeting the SII-P is a practical therapeutic approach for KRAS mutants beyond G12C. Here we use NMR spectroscopy and a cellular KRAS engagement assay to address this question by examining a collection of SII-P ligands from the literature and from our own laboratory. We show that the SII-Ps of many KRAS hotspot (G12, G13, Q61) mutants are accessible using noncovalent ligands, and that this accessibility is not necessarily coupled to the GDP state of KRAS. The results we describe here emphasize the SII-P as a privileged drug-binding site on KRAS and unveil new therapeutic opportunities in RAS-driven cancer.
Axicabtagene ciloleucel as first-line therapy in high-risk large B-cell lymphoma: the phase 2 ZUMA-12 trial
Authors: Neelapu Sattva S. , Dickinson Michael , Munoz Javier , Ulrickson Matthew L. , Thieblemont Catherine , Oluwole Olalekan O. , Herrera Alex F. , Ujjani Chaitra S. , Lin Yi , Riedell Peter A. , Kekre Natasha , de Vos Sven , Lui Christine , Milletti Francesca , Dong Jinghui , Xu Hairong , Chavez Julio C.
Published: March 2022

High-risk large B-cell lymphoma (LBCL) has poor outcomes with standard first-line chemoimmunotherapy. In the phase 2, multicenter, single-arm ZUMA-12 study (ClinicalTrials.gov NCT03761056) we evaluated axicabtagene ciloleucel (axi-cel), an autologous anti-CD19 chimeric antigen receptor (CAR) T-cell therapy, as part of first-line treatment in 40 patients with high-risk LBCL. This trial has completed accrual. The primary outcome was complete response rate (CRR). Secondary outcomes were objective response rate (ORR), duration of response (DOR), event-free survival (EFS), progression-free survival (PFS), overall survival (OS), assessment of safety, central nervous system (CNS) relapse and blood levels of CAR T cells and cytokines. The primary endpoint in efficacy-evaluable patients (n = 37) was met, with 78% CRR (95% confidence interval (CI), 62–90) and 89% ORR (95% CI, 75–97). As of 17 May 2021 (median follow-up, 15.9 months), 73% of patients remained in objective response; median DOR, EFS and PFS were not reached. Grade ≥3 cytokine release syndrome (CRS) and neurologic events occurred in three patients (8%) and nine patients (23%), respectively. There were no treatment-related grade 5 events. Robust CAR T-cell expansion occurred in all patients with a median time to peak of 8 days. We conclude that axi-cel is highly effective as part of first-line therapy for high-risk LBCL, with a manageable safety profile.
Increase in b-wave amplitude after light stimulation of the blind spot is positively correlated with the axial length of myopic individuals
Authors: Schilling Tim , Amorim-de-Sousa Ana , A Wong Nikita , Bahmani Hamed , González-Méijome José Manuel , Fernandes Paulo
Published: March 2022

Altered retinal dopamine and ON-pathway activity may underlie myopia development. It has been shown that the stimulation of the blind spot with short-wavelength light increases the electroretinogram (ERG) b-wave amplitude of myopic eyes and may engage the retinal dopaminergic system. This study evaluated the impact of various durations of blind spot stimulation on the electrophysiological response of the myopic retina and their relationship to axial length. Six myopic individuals underwent three short-wavelength blue light blind spot stimulation protocols (10 s, 1 min, 10 min) using a virtual reality headset. As a control condition, no stimulation was shown for 1 min. The b-wave amplitude of the photopic full-field ERG was measured at baseline and 10, 20, 30, 40, 50, and 60 min after each condition. A significant increase in b-wave amplitude was observed for all stimulation protocols compared to the control. The peak b-wave amplitude was observed 20 min after the 1-min stimulation protocol and 60 min after the 10-min stimulation protocol. A significant positive correlation was found between axial length of the eye and percent change in b-wave amplitude for the 10-min stimulation protocol. A rapid and a delayed b-wave time course responses were observed following 1 min and 10 min of blind spot stimulation, respectively. Overall, these results indicate that light stimulation of the blind spot for various durations elevates ON-bipolar cell activity in the retina and as such is assumed to reduce the myopic response. These findings could have implications for future myopia treatment.
Novel functional insights into a modified sugar-binding protein from Synechococcus MITS9220
Authors: Ford Benjamin A. , Michie Katharine A. , Paulsen Ian T. , Mabbutt Bridget C. , Shah Bhumika S.
Published: March 2022

Paradigms of metabolic strategies employed by photoautotrophic marine picocyanobacteria have been challenged in recent years. Based on genomic annotations, picocyanobacteria are predicted to assimilate organic nutrients via ATP-binding cassette importers, a process mediated by substrate-binding proteins. We report the functional characterisation of a modified sugar-binding protein, MsBP, from a marine Synechococcus strain, MITS9220. Ligand screening of MsBP shows a specific affinity for zinc (KD ~ 1.3 μM) and a preference for phosphate-modified sugars, such as fructose-1,6-biphosphate, in the presence of zinc (KD ~ 5.8 μM). Our crystal structures of apo MsBP (no zinc or substrate-bound) and Zn-MsBP (with zinc-bound) show that the presence of zinc induces structural differences, leading to a partially-closed substrate-binding cavity. The Zn-MsBP structure also sequesters several sulphate ions from the crystallisation condition, including two in the binding cleft, appropriately placed to mimic the orientation of adducts of a biphosphate hexose. Combined with a previously unseen positively charged binding cleft in our two structures and our binding affinity data, these observations highlight novel molecular variations on the sugar-binding SBP scaffold. Our findings lend further evidence to a proposed sugar acquisition mechanism in picocyanobacteria alluding to a mixotrophic strategy within these ubiquitous photosynthetic bacteria.
Validation of a CE-IVD, urine exosomal RNA expression assay for risk assessment of prostate cancer prior to biopsy
Authors: Kretschmer Alexander , Kajau Holger , Margolis Eric , Tutrone Ronald , Grimm Tobias , Trottmann Matthias , Stief Christian , Stoll Georg , Fischer Christian A. , Flinspach Claudia , Albrecht Anja , Meyer Lisa , Priewasser Tina , Enderle Daniel , Müller Romy , Torkler Phillipp , Alter Jason , Skog Johan , Noerholm Mikkel
Published: March 2022

Improved risk stratification of patients suspected of prostate cancer prior to biopsy continues to be an unmet clinical need. ExoDx Prostate (IntelliScore) “EPI” is a non-invasive urine test utilizing RNA from exosomes to provide a risk score that correlates with the likelihood of finding high grade prostate cancer at biopsy. Here, we present the results from a prospective clinical validation study of EPI-CE, a CE-marked in-vitro diagnostic (IVD) assay, specifically developed for use in European clinical laboratories. The study (NCT04720599) enrolled patients with ≥ 50 years, PSA 2–10 ng/mL, prior to MRI, who were scheduled for initial biopsy. First catch urine samples were collected from participants without prior digital rectal examination or prostate massage. Exosomal RNA was isolated and expression levels of three biomarkers ERG, PCA3 and SPDEF were analyzed according to the EPI-CE Instructions For Use. In the study cohort of N = 109 patients, EPI-CE was validated to have a Negative Predictive Value of 89%, a Sensitivity of 92% and a superior performance to two commonly used multiparametric risk calculators (PCPT and ERSPC) in both Receiver Operating Characteristics with a higher Area Under the Curve for EPI-CE 0.67 (95% CI 0.56–0.77) versus PCPT 0.59 (95% CI 0.47–0.71) and ERSPC 0.60 (95% CI 0.49–0.72) and higher Net Benefits analysis across a wide range of risk acceptance levels. This is the first clinical study reporting on the performance of EPI-CE. We demonstrate that EPI-CE provides information beyond standard clinical parameters and provides a better risk assessment prior to MRI, of patients suspected of prostate cancer, than the commonly used multiparametric risk calculators.
C9orf72 dipeptides disrupt the nucleocytoplasmic transport machinery and cause TDP-43 mislocalisation to the cytoplasm
Authors: Ryan Sarah , Rollinson Sara , Hobbs Eleanor , Pickering-Brown Stuart
Published: March 2022

A repeat expansion in C9orf72 is the major cause of both frontotemporal dementia and amyotrophic lateral sclerosis, accounting for approximately 1 in 12 cases of either disease. The expansion is translated to produce five dipeptide repeat proteins (DPRs) which aggregate in patient brain and are toxic in numerous models, though the mechanisms underlying this toxicity are poorly understood. Recent studies highlight nucleocytoplasmic transport impairments as a potential mechanism underlying neurodegeneration in C9orf72-linked disease, although the contribution of DPRs to this remains unclear. We expressed DPRs in HeLa cells, in the absence of repeat RNA. Crucially, we expressed DPRs at repeat-lengths found in patients (> 1000 units), ensuring our findings were relevant to disease. Immunofluorescence imaging was used to investigate the impact of each DPR on the nucleus, nucleocytoplasmic transport machinery and TDP-43 localisation. DPRs impaired the structural integrity of the nucleus, causing nuclear membrane disruption and misshapen nuclei. Ran and RanGAP, two proteins required for nucleocytoplasmic transport, were also mislocalised in DPR-expressing cells. Furthermore, DPRs triggered mislocalisation of TDP-43 to the cytoplasm, and this occurred in the same cells as Ran and RanGAP mislocalisation, suggesting a potential link between DPRs, nucleocytoplasmic transport impairments and TDP-43 pathology.
Spinal cord microstructural changes are connected with the aberrant sensorimotor cortical oscillatory activity in adults with cerebral palsy
Authors: Trevarrow Michael P. , Reelfs Anna , Baker Sarah E. , Hoffman Rashelle M. , Wilson Tony W. , Kurz Max J.
Published: March 2022

Previous animal models have illustrated that reduced cortical activity in the developing brain has cascading activity-dependent effects on the microstructural organization of the spinal cord. A limited number of studies have attempted to translate these findings to humans with cerebral palsy (CP). Essentially, the aberrations in sensorimotor cortical activity in those with CP could have an adverse effect on the spinal cord microstructure. To investigate this knowledge gap, we utilized magnetoencephalographic (MEG) brain imaging to quantify motor-related oscillatory activity in fourteen adults with CP and sixteen neurotypical (NT) controls. A subset of these participants also underwent cervical-thoracic spinal cord MRI. Our results showed that the strength of the peri-movement beta desynchronization and the post-movement beta rebound were each weaker in the adults with CP relative to the controls, and these weakened responses were associated with poorer task performance. Additionally, our results showed that the strength of the peri-movement beta response was associated with the total cross-sectional area of the spinal cord and the white matter cross-sectional area. Altogether these results suggest that the altered sensorimotor cortical activity seen in CP may result in activity-dependent plastic changes within the spinal cord microstructure, which could ultimately contribute to the sensorimotor deficits seen in this population.
A method for forecasting the number of hospitalized and deceased based on the number of newly infected during a pandemic
Authors: Scitovski Rudolf , Sabo Kristian , Ungar Šime
Published: March 2022

In this paper we propose a phenomenological model for forecasting the numbers of deaths and of hospitalized persons in a pandemic wave, assuming that these numbers linearly depend, with certain delays $$\tau >0$$

τ
>
0

for deaths and $$\delta >0$$

δ
>
0

for hospitalized, on the number of new cases. We illustrate the application of our method using data from the third wave of the COVID-19 pandemic in Croatia, but the method can be applied to any new wave of the COVID-19 pandemic, as well as to any other possible pandemic. We also supply freely available Mathematica modules to implement the method.
The hallucal interphalangeal ossicle: anatomy and basis for ultrasound-guided surgical shaving
Authors: Moroni Simone , Márquez Javier , Fernández-Gibello Alejandro , Nieves Gabriel Camunas , Montes Ruben , Vázquez Teresa , Sanudo José Ramon , Moriggl Bernhard , Stecco Carla , Tubbs R. Shane , Konschake Marko
Published: March 2022

Painful lesions on the plantar aspect of the first interphalangeal joint (IPJ) of the hallux can be attributed to structures called ossicles, nodules, or sesamoids. The aims of the present study were first to verify that ultrasonography (US) is a high-sensitivity tool for diagnosing an interphalangeal ossicle (IO), and second to prove that US-guided-shaving surgery (“milling”) is a safe and feasible technique for remodeling the IO. The study is divided into three parts. In the first part, the prevalence of IOs was estimated in 12 cadaver feet using US, anatomical dissection, and fluoroscopy. In the second, a detailed US and morphological description of the IO was obtained. In the third, six cadaver feet were subjected to surgical milling. IO prevalence was 41.6% in gross anatomy, 41.6% in US examination and just 16.6% in fluoroscopy. The ossicles had a mean length of 4 mm (± 2 mm) and a width of 7 mm (± 2 mm). The ossicles could be completely shaved in all specimens without injuring important anatomical structures. Our results indicate that US is a more precise tool for diagnosing an IO than X-ray. Moreover, our US-guided mini-invasive surgical technique appears feasible and safe.
Fingerprint analysis reveals sources of petroleum hydrocarbons in soils of different geographical oilfields of China and its ecological assessment
Authors: Liu Qinglong , Xia Chunqing , Wang Lan , Tang Jingchun
Published: March 2022

The distribution and characteristics of petroleum in three different geographic oilfields in China: Shengli Oilfield (SL), Nanyang Oilfield (NY), and Yanchang Oilfield (YC) were investigated. The average concentration of the total petroleum hydrocarbons (TPHs) conformed to be in the following law: SL Oilfield > NY Oilfield > YC Oilfield. Fingerprint analysis on the petroleum contamination level and source was conducted by the geochemical indices of n-alkanes and PAHs, such as low to high molecular weight (LMW/HMW) hydrocarbons, n-alkanes/pristine or phytane (C17/ Pr, C18/Ph), and ratio of anthracene/ (anthracene + phenanthrene) [Ant/(Ant + Phe)]. Soils adjacent to working well oils indicated new petroleum input with higher ratio of low to high molecular weight (LMW/HMW) hydrocarbons. The oil contamination occurred in the grassland soils might result of rainfall runoff. Petroleum source, petroleum combustion source, and biomass combustion were dominant PAHs origination of soils collected from oil exploitation area, petrochemical-related sites, farmland and grassland, respectively. The suggestive petroleum control strategies were proposed in each oilfield soils. Ecological potential risk of PAHs was assessed according to the toxic equivalent quantity (TEQ) of seven carcinogenic PAHs. The results showed that high, medium, and low ecological risk presented in petro-related area, grassland soils, and farmland soils, respectively. High ecological risk was persistent in abandoned oil well areas over abandoned time of 15 years, and basically stable after 5 years. This study can provide a critical insight to ecological risk management and source control of the petroleum contamination.
Assessment of a cancer genomic profile test for patients with metastatic breast cancer
Authors: Fukada Ippei , Mori Seiichi , Hayashi Naomi , Hosonaga Mari , Yamazaki Masumi , Wang Xiaofei , Kawai Saori , Inagaki Lina , Ozaki Yukinori , Kobayashi Kokoro , Hara Fumikata , Kobayashi Takayuki , Ueki Arisa , Osako Tomo , Tonooka Akiko , Takeuchi Kengo , Ueno Takayuki , Takano Toshimi , Ohno Shinji , Takahashi Shunji
Published: March 2022

Comprehensive cancer genomic profile (CGP) tests are being implemented under Japanese universal health insurance system. However, the clinical usefulness of CGP test for breast cancer patients has not been evaluated. Of the 310 patients who underwent CGP testing at our institution between November 2019 and April 2021, 35 patients with metastatic breast cancer whose treatment strategy was discussed by our molecular tumor board within the study period were investigated after exclusion of 2 cases that could not be analyzed. The turn-around time, drug accessibility, and germline identification detection were evaluated. The subtype was luminal in 20 patients (57.1%), triple-negative in 12 patients (34.3%), and luminal-HER2 in 3 patients (8.6%). Actionable gene mutations were detected in 30 patients (85.7%), and 7 patients (20.0%) were recommended for clinical trial participation, with the drug administered to 2 patients (5.7%). Three patients (8.6%) died due to disease progression before the test results were disclosed. We report the results of an initial assessment of the utility of CGP testing for patients with metastatic breast cancer under Japanese universal health insurance system. Conducting CGP tests at a more appropriate time could provide patients with greater benefit from treatments based on their specific gene mutations.
Identification of co-expression hub genes for ferroptosis in kidney renal clear cell carcinoma based on weighted gene co-expression network analysis and The Cancer Genome Atlas clinical data
Authors: Li Shengxian , Xu Ximei , Zhang Ruirui , Huang Yong
Published: March 2022

Renal clear cell carcinoma (KIRC) is one of the most common tumors worldwide and has a high mortality rate. Ferroptosis is a major mechanism of tumor occurrence and development, as well as important for prognosis and treatment of KIRC. Here, we conducted bioinformatics analysis to identify KIRC hub genes that target ferroptosis. By Weighted gene co-expression network analysis (WGCNA), 11 co-expression-related genes were screened out. According to Kaplan Meier's survival analysis of the data from the gene expression profile interactive analysis database, it was identified that the expression levels of two genes, PROM2 and PLIN2, are respectively related to prognosis. In conclusion, our findings indicate that PROM2 and PLIN2 may be effective new targets for the treatment and prognosis of KIRC.
A multi-modal exploration of heterogeneous physico–chemical properties of DCIS breast microcalcifications
Authors: Gosling Sarah , Calabrese Doriana , Nallala Jayakrupakar , Greenwood Charlene , Pinder Sarah , King Lorraine , Marks Jeffrey , Pinto Donna , Lynch Thomas , Lyburn Iain D. , Hwang E. Shelley , Grand Challenge PRECISION Consortium  , Rogers Keith , Stone Nicholas
Published: March 2022

Combined crystallographic and spectroscopic methods were used to investigate the heterogeneity of breast calcifications found associated with ductal carcinoma in situ, revealing distinctive patterns in protein distribution and mineral composition.
Revealing the role of interfacial heterogeneous nucleation in the metastable thin film growth of rare-earth nickelate electronic transition materials
Authors: Yan Fengbo , Mi Zhishan , Chen Jinhao , Hu Haiyang , Gao Lei , Wang Jiaou , Chen Nuofu , Jiang Yong , Qiao Lijie , Chen Jikun
Published: March 2022

The synergistic effects of heterogeneous nucleation and high oxygen pressure on the spin coating-assisted epitaxy growth of ReNiO3 thin films are revealed.
Identification and manipulation of dynamic active site deficiency-induced competing reactions in electrocatalytic oxidation processes
Authors: Lin Runjia , Kang Liqun , Zhao Tianqi , Feng Jianrui , Celorrio Veronica , Zhang Guohui , Cibin Giannantonio , Kucernak Anthony , Brett Dan J. L. , Corà Furio , Parkin Ivan P. , He Guanjie
Published: March 2022

A detrimental competition between the urea oxidation reaction (UOR) and oxygen evolution reaction is identified. Strategies are proposed to alleviate such competition and boost the performance of the UOR and other organic compound oxidation reactions.
Impact of RAFT chain transfer agents on the polymeric shell density of magneto-fluorescent nanoparticles and their cellular uptake
Authors: Blondy Thibaut , Poly Julien , Linot Camille , Boucard Joanna , Allard-Vannier Emilie , Nedellec Steven , Hulin Phillipe , Hénoumont Céline , Larbanoix Lionel , Muller Robert N. , Laurent Sophie , Ishow Eléna , Blanquart Christophe
Published: March 2022

Nanoparticles coated with distinct comb-like RAFT pegylated polymers reveal differentiated cell uptake as a function of the PEG compaction that is ruled by the chemical nature of the incorporated RAFT chain transfer agents.
Understanding anharmonic effects on hydrogen desorption characteristics of MgnH2n nanoclusters by ab initio trained deep neural network
Authors: Pedrielli Andrea , Trevisanutto Paolo E. , Monacelli Lorenzo , Garberoglio Giovanni , Pugno Nicola M. , Taioli Simone
Published: March 2022

Scaling up the ab-initio anharmonic thermodynamic and desorption properties of magnesium hydride by the S[chnet]SCHA method.
Pomegranate seed polyphenol-based nanosheets as an efficient inhibitor of amyloid fibril assembly and cytotoxicity of HEWL
Authors: Meratan Ali Akbar , Hassani Vahid , Mahdavi Atiyeh , Nikfarjam Nasser
Published: March 2022

PFPS nanosheets modulate the amyloid fibrillation of HEWL much more effective than the bulk form of PFPS. Based on the thioflavin T results, a delay in the initiation of the assembly process appears to be the mechanism of action of PFPS nanosheets.
Experimental study of methane hydrate generation characteristics in the presence of GO and Re-GO
Authors: Wang Ruirui , Zhou Hang , Yang Baoya , Zhao Weilong , Song Jun , Zheng Haikun , Hao Xiaoru , Sheng Wei
Published: March 2022

GO can be recycled after use. GO and Re-GO have both kinetic and thermodynamic promoting effects. Re-GO basically has the same thermodynamic effect and slightly lower kinetic effect as GO. GO does not have the memory effect in hydrate formation.
Blend for all or pure for few? Well-to-wheel life cycle assessment of blending electricity-based OME3–5 with fossil diesel
Authors: Voelker Simon , Deutz Sarah , Burre Jannik , Bongartz Dominik , Omari Ahmad , Lehrheuer Bastian , Mitsos Alexander , Pischinger Stefan , Bardow André , von der Assen Niklas
Published: March 2022

Using life cycle assessment, we explore the conditions under which a fleet-wide blending of OME3–5 with fossil diesel can reduce environmental impacts in terms of CO2, NOx, and soot emissions.
Passive viscoelastic response of striated muscles
Authors: Staniscia Fabio , Truskinovsky Lev
Published: March 2022

We derive, starting from a microscopic model of the sarcomere and using methods of statistical mechanics, a rheological spring-dashpot model which explains the short time (few milliseconds) muscle fibre behaviour.
Edible mechanical metamaterials with designed fracture for mouthfeel control
Authors: Souto André , Zhang Jian , Aragón Alejandro M. , Velikov Krassimir P. , Coulais Corentin
Published: March 2022

Edible metamaterials with on-demand fracture properties can be used to enhance mouthfeel experience.
Mechanochromic elastomers with different thermo- and mechano-responsive radical-type mechanophores
Authors: Yanada Kosaku , Aoki Daisuke , Otsuka Hideyuki
Published: March 2022

Mechanochromic elastomers with different thermo- and mechano-responsive radical-type mechanophores are prepared and their sensitivity to heat and mechanical force is investigated.
Chemical etching induced microporous nickel backbones decorated with metallic Fe@hydroxide nanocatalysts: an efficient and sustainable OER anode toward industrial alkaline water-splitting
Authors: Shrestha Nabeen K. , Patil Supriya A. , Han Jonghoon , Cho Sangeun , Inamdar Akbar I. , Kim Hyungsang , Im Hyunsik
Published: March 2022

An efficient and sustainable gas diffusible OER anode toward industrial alkaline water-splitting is fabricated by simply immersing Ni foam in ethanolic FeCl3 etchant, which produces a microporous Ni backbone decorated with nanocatalysts.
Electrochemical carbon dioxide reduction on copper–zinc alloys: ethanol and ethylene selectivity analysis
Authors: Baek Yeji , Song Hakhyeon , Hong Deokgi , Wang Suneon , Lee Sungwoo , Joo Young-Chang , Lee Gun-Do , Oh Jihun
Published: March 2022

The effect of local atomic arrangement of CuZn alloys was demonstrated on enhanced ethanol selectivity from CO2RR and supported by density functional theory (DFT) calculations.
A pH-responsive mesoporous silica nanoparticle-based drug delivery system for targeted breast cancer therapy
Authors: Chang Jie , Mo Liufang , Song Jinfeng , Wang Xiaochen , Liu Hanhan , Meng Chenchen , Wu Yijun
Published: March 2022

MSN-COOH was synthesized and sealed DOX in the hole, then PEI and AA were modified to the surface of MSN-COOH through amide bonds. This delivery system could achieve pH-responsive drug release and targeted drug delivery simultaneously.
Understanding the reactivity of frustrated Lewis pairs with the help of the activation strain model–energy decomposition analysis method
Authors: Fernández Israel
Published: March 2022

This Feature article presents recent representative applications of the combination of the Activation Strain Model of reactivity and the Energy Decomposition Analysis methods to understand the reactivity of Frustrated Lewis Pairs (FLPs).
Development of small cyclic peptides targeting the CK2α/β interface
Authors: Atkinson Eleanor L. , Iegre Jessica , D’Amore Claudio , Brear Paul , Salvi Mauro , Hyvönen Marko , Spring David R.
Published: March 2022

Development of a small CK2α/β protein–protein interaction-inhibiting peptide, which is easily synthesisable and functionalisable, with good enzymatic and cellular activity.
Origin of the tight binding mode to ACE2 triggered by multi-point mutations in the omicron variant: a dynamic insight
Authors: Zhao Xiaoyu , Xiong Danyang , Luo Song , Duan Lili
Published: March 2022

Multiple point mutations in Omicron may make it easier for the RBM to wrap the N-terminal helix of ACE2. Neutral residues are substituted into positively charged patches, which may cause local perturbations and affect electrostatic complementarity.
A computational study of direct CO2 hydrogenation to methanol on Pd surfaces
Authors: Kowalec Igor , Kabalan Lara , Catlow C. Richard A. , Logsdail Andrew J.
Published: March 2022

The reaction mechanism of direct CO2 hydrogenation to methanol is investigated in detail on Pd (111), (100) and (110) surfaces using density functional theory (DFT), supporting investigations into emergent Pd-based catalysts.
Strategies for breaking molecular scaling relationships for the electrochemical CO2 reduction reaction
Authors: Nie Weixuan , McCrory Charles C. L.
Published: March 2022

For CO2 reduction by molecular catalysts, beneficial decreases in overpotential (ηeff) are often correlated with detrimental decreases in activity (TOFmax). This perspective explores design strategies to break these molecular scaling relationships.
Antimony(+5) ion induced tunable intramolecular charge transfer in hypervalent antimony(v) porphyrins
Authors: Holzer Noah , Sharma Jatan K. , Peterson Steven , Bayard Brandon J. , Nesterov Vladimir N. , Karr Paul A. , D'Souza Francis , Poddutoori Prashanth K.
Published: March 2022

Antimony(+5) insertion induces both electron-rich and electron-poor parts within the porphyrin structure resulting in a push–pull style intramolecular charge transfer.
Fluorescence lifetime activated droplet sorting (FLADS) for label-free sorting of Synechocystis sp. PCC6803
Authors: Blaha Maximilian Emanuel , Hasan Sadat , Dusny Christian , Belder Detlev
Published: March 2022

This study presents the label-free sorting of cyanobacterial cells in droplets with single-cell sensitivity based on their fluorescence lifetime.
Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles
Authors: Kaßner Lysann , Ebert Thomas , Godermajer Patricia , Dzhagan Volodymyr , Zahn Dietrich R. T. , Simon Frank , Dentel Doreen , Tegenkamp Christoph , Spange Stefan , Mehring Michael
Published: March 2022

Application of twin polymerization by a base-catalysed, surface-mediated coating procedure is shown on different templates. Post-polymerization treatment leads to microporous shells on MWCNTs,N-doped carbon particles, and copper particles.
Micropore filling fabrication of high resolution patterned PQDs with a pixel size less than 5 μm
Authors: Sun Wenchao , Li Fei , Tao Jin , Li Panyuan , Zhu Licai , Li Jiwei , Lv Jinguang , Wang Weibiao , Liang Jingqiu , Zhong Haizheng
Published: March 2022

In this work, we report a new method to fabricate patterned perovskite quantum dots (PQDs). By this method, high resolution patterned PQDs are obtained. This method provides a reference for researchers to fabricate high-resolution patterned PQDs.
High-silica zeolite Y: seed-assisted synthesis, characterization and catalytic properties
Authors: Zhu Dali , Wang Linying , Cui Wenhao , Tan Juan , Tian Peng , Liu Zhongmin
Published: March 2022

Seed-assisted synthesis of high-silica zeolite Y with good (hydro)thermal stability, abundant strong acid sites and excellent catalytic cracking performance.
Hygroscopic additive-modified magnesium sulfate thermochemical material construction and heat transfer numerical simulation for low temperature energy storage
Authors: Li Shi-Jie , Yang Xiang-Yu , Deng Li-Sheng , Fu Yong-Chun , Pang Ming-Jun , Dong Ti , Yu Yi-Song , Su Ling-Na , Jiang Shang
Published: March 2022

Construction of a high performance hydrophilic magnesium sulfate composite thermal energy storage material and numerical simulation of its heat transfer behavior.
Dendritic structured palladium complexes: magnetically retrievable, highly efficient heterogeneous nanocatalyst for Suzuki and Heck cross-coupling reactions
Authors: Sheikh Safoora , Nasseri Mohammad Ali , Chahkandi Mohammad , Reiser Oliver , Allahresani Ali
Published: March 2022

The recyclable nanomagnetic Pd-complex PAMAM G0-Pd@γ-Fe2O3 is reported for catalytic C–C cross-coupling reactions of challenging substrates.
Electrochemical deposition of amorphous cobalt oxides for oxygen evolution catalysis
Authors: Liu Wei , Kamiko Masao , Yamada Ikuya , Yagi Shunsuke
Published: March 2022

Amorphous cobalt oxides electrodeposited on VS2 grown on carbon paper show better catalytic activity for the oxygen evolution reaction than crystalline Co3O4 on carbon paper.
Surface microstructural engineering of silicone elastomers for high performance adhesive surface-enabled mechanical energy harvesters
Authors: Fu Haiyan , Gong Jianliang , Zhong Hao , Yang Bao , Long Zuchang , Zeng Jiqing , Cheng Zhiyu , He Jialin , Xu Bingang , Chen Yiwang
Published: March 2022

Unconventional contact electrification between viscoelastic polymer adhesives and patterned silicone elastomers was developed for high-performance mechanical energy harvesters with unique frequency- and force-insensitive output characteristics.
A linear 2D-conjugated polymer based on 4,8-bis(4-chloro-5-tripropylsilyl-thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene (BDT-T-SiCl) for low voltage loss organic photovoltaics
Authors: Zhou Jialing , Lei Peng , Geng Yanfang , He Zehua , Li Xianda , Zeng Qingdao , Tang Ailing , Zhou Erjun
Published: March 2022

Organic photovoltaics (OPVs) are a promising technology for indoor low-energy-consumption portable electronic equipment.
Viable post-electrode-engineering for the complete integrity of large-volume-change lithium-ion battery anodes
Authors: Kim Jihun , Ma Jiyoung , Yoon Hocheol , Jang Junsung , Suh Seokho , Park Hyeonghun , Song Jeonghwan , Kim Jin Hyeok , Park Junsu , Woo Jung-Je , Kim Hyeong-Jin
Published: March 2022

As an anode material, a robust MgGaZnO coated Si/rGO-web hybrid composite is newly designed by viable post-electrode-engineering. The designed anode shows a significant improvement in the stability via synergistic inner–outer structural treatments.
Nanogels loading curcumin in situ through microemulsion photopolymerization for enhancement of antitumor effects
Authors: Peng Yuanyuan , Yu Siyuan , Wang Zhen , Huang Pingsheng , Wang Weiwei , Xing Jinfeng
Published: March 2022

Curcumin as a model drug was encapsulated into nanogels in situ through microemulsion photopolymerization at 532 nm. The release behaviour, killing ability of tumor cells, and antitumor effects of curcumin can be effectively modified.
Efficient thermally activated delayed fluorescence emitters based on a parallelly aligned bi-spiro-acridine donor
Authors: Peng Hao , Lou Jingli , Li Ganggang , Zhou Changjiang , Wang Zhiming , Liu He
Published: March 2022

Three TADF emitters based on a parallelly aligned bi-spiro-acridine donor are developed featuring enhanced radiative decay which achieve a high external quantum efficiency of maximum 26.1%.
Boosting ultralong organic phosphorescence performance by synergistic heavy-atom effect and multiple intermolecular interactions in molecular crystal
Authors: Mao Huiting , Gao Jing , Zhao Weijun , Wang Tingting , Shan Guo-Gang , Geng Yun , Shao Kuizhan , Wang Xinlong , Su Zhongmin
Published: March 2022

A feasible strategy through synergistic heavy-atom effect and methylation approach to suppress non-radiative pathway and accelerate ISC processes is demonstrated. As a result, efficient and long-lived phosphorescence is realized.
A robust statistic‐aided edge detector for SAR images based on RUSTICO
Authors: Li Jiamu , Yu Wenbo , Wang Zijian , Luo Yunhua , Yu Zhongjun
Published: March 2022

Speckle noise exists inherently due to the special imaging mechanism of synthetic aperture radar (SAR), which is a challenge for edge extraction. The traditional methods failed to make full use of statistical characteristics of SAR images to detect the edges, which results in the loss of weak edges. To address this issue, combined with the robust inhibition‐augmented curvilinear operator, this letter proposes a novel edge detector based on the ratio of local statistics (ROLSS) for SAR images. In this letter, the proposed detector achieves the balance between edge resolution and speckle suppression through the proposed intensity calculation method. By taking advantage of image statistic characteristics, the proposed ROLSS edge detector can draw complete continuous edges of many shapes areas and textures without any post‐processing, such as edge thinning, extension, and so on. Experiment results show that the proposed detector yields more accurate edge maps with fewer false and missed pixels, and it holds robustness both in the speckle‐polluted simulated image and the real X‐band airborne SAR image.
High resolution spectral imaging of CO(7–6), [CI](2–1), and continuum of three high-z lensed dusty star-forming galaxies using ALMA
Authors: Gururajan G. , Béthermin M. , Theulé P. , Spilker J. S. , Aravena M. , Archipley M. A. , Chapman S. C. , De Breuck C. , Gonzalez A. , Hayward C. C. , Hezaveh Y. , Hill R. , Jarugula S. , Litke K. C. , Malkan M. , Marrone D. P. , Narayanan D. , Phadke K. A. , Reuter C. , Vieira J. D. , Vizgan D. , Weiß A.
Published: March 2022

High-redshift dusty star-forming galaxies with very high star formation rates (500−3000 M⊙ yr−1) are key to understanding the formation of the most extreme galaxies in the early Universe. Characterising the gas reservoir of these systems can reveal the driving factor behind the high star formation. Using molecular gas tracers such as, high-J CO lines, neutral carbon lines, and the dust continuum, we can estimate the gas density and radiation field intensity in their interstellar media. In this paper, we present high resolution (∼0.4″) observations of CO(7−6), [CI](2−1), and dust continuum of three lensed galaxies from the South pole telescope – sub-millimetre galaxies (SPT-SMG) sample at z ∼ 3 with the Atacama Large Millimetre/submillimetre Array. Our sources have high intrinsic star formation rates (> 850 M⊙ yr−1) and rather short depletion timescales (< 100 Myr). Based on the L[CI](2−1)/LCO(7 − 6) and L[CI](2−1)/LIR ratios, our galaxy sample has similar radiation field intensities and gas densities compared to other submillimetre galaxies. We performed visibility-based lens modelling on these objects to reconstruct the kinematics in the source plane. We find that the cold gas masses of the sources are compatible with simple dynamical mass estimates using ULIRG-like values of the CO-H2 conversion factor αCO, but not Milky Way-like values. We find diverse source kinematics in our sample: SPT0103−45 and SPT2147−50 are likely rotating disks, while SPT2357−51 is possibly a major merger. The analysis presented in the paper could be extended to a larger sample to determine better statistics of morphologies and interstellar medium properties of high-z dusty star-forming galaxies.
Fast flow simulation method based on POD and BPNN
Authors: Jia Xuyi , Gong Chunlin , Li Chunna
Published: March 2022

It is computationally expensive to perform a large number of flow analysis by using high-fidelity CFD simulation. The paper proposes a fast flow-analysis method based on the proper orthogonal decomposition(POD) and back propagation based neural network(BPNN). First samples are generated in the geometric parameter space. Then a POD model is built to map the high-dimensional flow-field data to low-dimensional base modal coefficients, and further a BPNN model is fitted from geometric parameters to base modal coefficients to achieve fast flow prediction. During constructing the POD and BPNN model, the partitioning strategy and K-means clustering are implemented to improve modeling efficiency, as well as to reduce model training time. The results of predicting the steady flow of variable geometries show that: at subsonic, the trained model possesses good accuracy, especially in predicting the pressure isolines of the flow field and the pressure coefficient distribution of the airfoil. The average prediction errors of the lift and drag coefficient are smaller than 0.4%, while they are smaller than 1.4% at transonic. The shock location can be well predicted as well.
Seismic design method and plastic hinge of square steel tube confined reinforced concrete (STRC) columns
Authors: Shi Ruoli , Luo Liang , Pan Zhicheng , Zhang Jun , Sun Zhiying , Gu Shuxian , Li Qilun
Published: March 2022

Steel tube confined reinforced concrete columns have the advantages of high bearing capacity, good ductility and convenient construction, which meet the requirements of "building industrialization", so they are widely used in high-rise buildings. Based on the plastic-damage constitutive model of concrete and elastic-plastic mixed strengthen constitutive model of steel, finite element software ABAQUS was used to build an elaborate 3D finite element solid model and perform pseudo-static analysis of square steel tube confined RC(STRC) columns. The model considered the confinement effect of the steel tube exerting on the core concrete, as well as reasonable boundary conditions and loading modes. Good agreement was achieved between the finite element analysis results and the existing quasi static experimental results regarding to the failure modes, load-displacement hysteretic curves and load-displacement skeleton curves. Based on the validated model, 136 full scale model examples were established and extensive parametric analysis was conducted. The results show that the confinement of external steel tube can reduce the peak compressive strain and increase the peak compressive stress of concrete, thus delaying the failure of RC column and improving its bearing capacity and ductility effectively. Besides, the failure displacement angle and ultimate bearing capacity increase when the thickness of steel tube increases. Finally, the seismic design method including reasonable thickness and hoop index of the steel tube were proposed for 5 material strength matching and different axial compression ratios. A method to judge the plastic hinge based on concrete strain and steel tube strain was proposed, as well as a practical calculation formula of plastic hinge length. This study can provide basis and support for the seismic design of frame columns.