bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular-level enhanced clusterization-triggered emission of nonconventional luminophores in dilute aqueous solution
Authors: Li Qiuju , Wang Xingyi , Huang Qisu , Li Zhuo , Tang Ben Zhong , Mao Shun
Published: January 2023

Nonconjugated and nonaromatic luminophores based on clustering-triggered emission derived from through-space conjugation have drawn emerging attention in recent years. The reported nonconventional luminophores are emissive in concentrated solution and/or in the solid state, but they tend to be nonluminescent in dilute solution, which greatly limits their sensing and imaging applications. Herein, we design unique clusteroluminogens through modification of cyclodextrin (CD) with amino acids to enable the intermolecular and intramolecular clusterization of chromophores in CD-based confined space. The resulted through-space interactions along with conformation rigidification originated from hydrogen bond interaction and complexation interaction generate blue to cyan fluorescence even in the dilute solution (0.035 wt.%, quantum yield of 40.70%). Moreover, the prepared histidine-modified CD (CDHis) is demonstrated for fluorescent detection of chlortetracycline with high sensitivity and selectivity. This work provides a new and universal strategy to synthesize nonconventional luminophores with bright fluorescence in dilute aqueous solution through molecular-level enhanced clusterization-triggered emission.
Stigma receptors control intraspecies and interspecies barriers in Brassicaceae
Authors: Huang Jiabao , Yang Lin , Yang Liu , Wu Xiaoyu , Cui Xiaoshuang , Zhang Lili , Hui Jiyun , Zhao Yumei , Yang Hongmin , Liu Shangjia , Xu Quanling , Pang Maoxuan , Guo Xinping , Cao Yunyun , Chen Yu , Ren Xinru , Lv Jinzhi , Yu Jianqiang , Ding Junyi , Xu Gang , Wang Nian , Wei Xiaochun , Lin Qinghui , Yuan Yuxiang , Zhang Xiaowei , Ma Chaozhi , Dai Cheng , Wang Pengwei , Wang Yongchao , Cheng Fei , Zeng Weiqing , Palanivelu Ravishankar , Wu Hen-Ming , Zhang Xiansheng , Cheung Alice Y. , Duan Qiaohong
Published: January 2023

Flowering plants have evolved numerous intraspecific and interspecific prezygotic reproductive barriers to prevent production of unfavourable offspring1. Within a species, self-incompatibility (SI) is a widely utilized mechanism that rejects self-pollen2,3 to avoid inbreeding depression. Interspecific barriers restrain breeding between species and often follow the SI × self-compatible (SC) rule, that is, interspecific pollen is unilaterally incompatible (UI) on SI pistils but unilaterally compatible (UC) on SC pistils1,4–6. The molecular mechanisms underlying SI, UI, SC and UC and their interconnections in the Brassicaceae remain unclear. Here we demonstrate that the SI pollen determinant S-locus cysteine-rich protein/S-locus protein 11 (SCR/SP11)2,3 or a signal from UI pollen binds to the SI female determinant S-locus receptor kinase (SRK)2,3, recruits FERONIA (FER)7–9 and activates FER-mediated reactive oxygen species production in SI stigmas10,11 to reject incompatible pollen. For compatible responses, diverged pollen coat protein B-class12–14 from SC and UC pollen differentially trigger nitric oxide, nitrosate FER to suppress reactive oxygen species in SC stigmas to facilitate pollen growth in an intraspecies-preferential manner, maintaining species integrity. Our results show that SRK and FER integrate mechanisms underlying intraspecific and interspecific barriers and offer paths to achieve distant breeding in Brassicaceae crops.
Frequent and unpredictable changes in COVID-19 policies and restrictions reduce the accuracy of model forecasts
Authors: Houdroge Farah , Palmer Anna , Delport Dominic , Walsh Tom , Kelly Sherrie L. , Hainsworth Samuel W. , Abeysuriya Romesh , Stuart Robyn M. , Kerr Cliff C. , Coplan Paul , Wilson David P. , Scott Nick
Published: January 2023

Between June and August 2020, an agent-based model was used to project rates of COVID-19 infection incidence and cases diagnosed as positive from 15 September to 31 October 2020 for 72 geographic settings. Five scenarios were modelled: a baseline scenario where no future changes were made to existing restrictions, and four scenarios representing small or moderate changes in restrictions at two intervals. Post hoc, upper and lower bounds for number of diagnosed Covid-19 cases were compared with actual data collected during the prediction window. A regression analysis with 17 covariates was performed to determine correlates of accurate projections. It was found that the actual data fell within the lower and upper bounds in 27 settings and out of bounds in 45 settings. The only statistically significant predictor of actual data within the predicted bounds was correct assumptions about future policy changes (OR 15.04; 95% CI 2.20–208.70; p = 0.016). Frequent changes in restrictions implemented by governments, which the modelling team was not always able to predict, in part explains why the majority of model projections were inaccurate compared with actual outcomes and supports revision of projections when policies are changed as well as the importance of modelling teams collaborating with policy experts.
Model validation for a knowledge and practices survey towards prevention of soil-transmitted helminth infections in rural villages in Indonesia
Authors: Lee P. , Kurscheid J. M. , Laksono B. , Park M. J. , Clements A. C. A. , Lowe C. , Stewart D. E. , Gray D. J.
Published: January 2023

The rate of soil-transmitted helminth (STH) infection is estimated to be around 20% in Indonesia. Health promotion and health education are cost-effective strategies to supplement STH prevention and control programs. Existing studies suggest that quantitative tools for knowledge, attitudes and practices (KAP) are important to monitor effective community-based STH interventions. However, evidence is limited regarding the applicability of such tools. This study aims to identify the socio-demographic predictors for STH-related knowledge and practices and validate the quantitative tools in population use. A cross-sectional study design was conducted among residents of 16 villages in Central Java, Indonesia. Adult and child respondents were interviewed to assess general knowledge and practices in relation to STH. Two mixed effects models identified the significant factors in predicting knowledge and practice scores. The model predicted knowledge and practice scores were compared with the observed scores to validate the quantitative measurements developed in this study. Participants’ socio-demographic variables were significant in predicting an individual’s STH-related knowledge level and their hand washing and hygiene practices, taking into account household-level variability. Model validation results confirmed that the quantitative measurement tools were suitable for assessing STH associated knowledge and behaviour. The questionnaire developed in this study can be used to support school- and community-based health education interventions to maximize the effect of STH prevention and control programs.
CusProSe: a customizable protein annotation software with an application to the prediction of fungal secondary metabolism genes
Authors: Oliveira Leonor , Chevrollier Nicolas , Dallery Jean-Felix , O’Connell Richard J. , Lebrun Marc-Henri , Viaud Muriel , Lespinet Olivier
Published: January 2023

We report here a new application, CustomProteinSearch (CusProSe), whose purpose is to help users to search for proteins of interest based on their domain composition. The application is customizable. It consists of two independent tools, IterHMMBuild and ProSeCDA. IterHMMBuild allows the iterative construction of Hidden Markov Model (HMM) profiles for conserved domains of selected protein sequences, while ProSeCDA scans a proteome of interest against an HMM profile database, and annotates identified proteins using user-defined rules. CusProSe was successfully used to identify, in fungal genomes, genes encoding key enzyme families involved in secondary metabolism, such as polyketide synthases (PKS), non-ribosomal peptide synthetases (NRPS), hybrid PKS-NRPS and dimethylallyl tryptophan synthases (DMATS), as well as to characterize distinct terpene synthases (TS) sub-families. The highly configurable characteristics of this application makes it a generic tool, which allows the user to refine the function of predicted proteins, to extend detection to new enzymes families, and may also be applied to biological systems other than fungi and to other proteins than those involved in secondary metabolism.
Particle size composition characteristics of weathered debris from grey–green slate under the action of freeze–thaw and dry–wet cycles
Authors: Wang Jie , Li Wangcheng , Mu Min , Chen Jihong , Li Yangyang , Liu Huaru , Su Qikun
Published: January 2023

The material basis for soil formation is rock weathering debris. Understanding the particle size composition characteristics of rock weathering debris and its impacts is important for improving the soil structure of dry farmland in the central dry zone of Ningxia,China. In this study, the particle sizes of weathered debris collected from grey–green slate after indoor simulations of freeze–thaw and dry–wet cycles tests were examined. The results were as follows: (1) Under 16 treatments, the weathering debris of grey–green slate contained about 10% or less very fine sand and coarse silt, while clay, fine silt, and fine sand were the most abundant sizes (at least 60% of the total). (2) Under each treatment, the average particle size of the grey–green slate weathered debris was 5.52Ф (silt grade). The overall skewness was high, but the symmetry was poor. The particle size frequency distribution curve had many broad peaks or multiple peaks. (3) The fractal dimension was associated with very fine silt but had a strong negative correlation with fine sand and medium-coarse sand. The results indicate that fractal dimension can reflect the grain size characteristics of weathered debris. The mineral element content of the grey–green slate somewhat affected the fractal dimension, and it positively correlated with environmental electrical conductivity (EC) and element-leaching amount; it negatively correlated with particle size, temperature, and pH. According to the findings, the fractal dimension can accurately represent the particle size distribution of weathered debris. The generation of grey–green slate weathering debris should be considered in the formation and development of local soil.
Brønsted acid catalyzed mechanochemical domino multicomponent reactions by employing liquid assisted grindstone chemistry
Authors: Borah Biplob , Swain Sidhartha , Patat Mihir , Kumar Bhupender , Prajapat Ketan Kumar , Biswas Rathindranath , Vasantha R. , Chowhan L. Raju
Published: January 2023

Here, we have demonstrated a metal-free energy-efficient mechanochemical approach for expedient access to a diverse set of 2-amino-3-cyano-aryl/heteroaryl-4H-chromenes, tetrahydrospiro[chromene-3,4′-indoline], 2,2′-aryl/heteroarylmethylene-bis(3-hydroxy-5,5-dimethylcyclohex-2-enone) as well as tetrahydro-1H-xanthen-1-one by employing the reactivity of 5,5-dimethylcyclohexane-1,3-dione/cyclohexane-1,3-dione with TsOH⋅H2O as Brønsted acid catalyst under water-assisted grinding conditions at ambient temperature. The ability to accomplish multiple C–C, C=C, C–O, and C–N bonds from readily available starting materials via a domino multicomponent strategy in the absence of metal-catalyst as well as volatile organic solvents with an immediate reduction in the cost of the transformation without necessitates complex operational procedures, features the significant highlights of this approach. The excellent yield of the products, broad functional group tolerances, easy set-up, column-free, scalable synthesis with ultralow catalyst loading, short reaction time, waste-free, ligand-free, and toxic-free, are other notable advantages of this approach. The greenness and sustainability of the protocol were also established by demonstrating several green metrics parameters.
A novel bi-planar calibration method for digital templating in total hip arthroplasty
Authors: Ries Christian , Rolvien Tim , Beil Frank Timo , Boese Henriette S. , Boese Christoph Kolja
Published: January 2023

In total hip arthroplasty and reconstructive orthopedic surgery, pre-operative digital templating is essential for surgical treatment optimization, risk management, and quality control. Calibration is performed before templating to address magnification effects. Conventional methods including fixed calibration factors, individual marker-based calibration and dual-scale marker methods are not reliable. A novel bi-planar calibration method is described aiming to reduce the error below clinical significance. The bi-planar calibration method requires two conventional orthogonal radiographs and a standard radiopaque marker ball. An algorithm computes the hip plane height parallel to the detector in the antero-posterior radiograph. Foreseeable errors (i.e., patient rotation and misplaced markers or lateral offset) are considered in a correction algorithm. Potential effects of errors are quantified in a standard model. Influence of rotation in lateral radiographs and lateral offset of marker on the calibration factor are quantified. Without correction, patient rotation in the lateral radiograph of 30° results in absolute calibration error of 2.2% with 0 mm offset and 6.5% with 60 mm lateral offset. The error is below the threshold of 1.5% for rotation less than 26° with 0 mm offset and 10° with 60 mm offset. The method is supposed to be reliable in precisely predicting the hip plane and thereby the calibration factor. It may be superior to other methods available. In theory, the method allows correction of clinically relevant rotation of at least 30° and marker displacement without impacting the computed calibration factor.
Cumulative trauma predicts hair cortisol concentrations and symptoms of depression and anxiety in pregnant women—an investigation of community samples from Greece, Spain and Perú
Authors: Dobernecker Johanna , Spyridou Andria , Elbert Thomas , Schauer Maggie , Garthus-Niegel Susan , Ruf-Leuschner Martina , Schalinski Inga
Published: January 2023

Exposure to traumatic experiences across lifespan shapes the functioning of the hypothalamic pituitary adrenal (HPA) axis and sets individuals at risk to develop symptoms of depression and anxiety. Particularly, HPA axis regulation and the psychological health of the expectant mother have been of interest, as the health of the unborn child may be affected through changes in gestational biology. The present study investigated the potential associations between lifetime trauma, current symptoms (depression and anxiety) and hair cortisol concentrations (HCC) in pregnant women. A total of 149 pregnant women were interviewed in public outpatient clinics with varying gestational age in Greece, Spain and Perú. Lifetime trauma exposure and current symptoms of depression and anxiety were assessed. HCC was measured in scalp-near hair segments (2 cm length) reflecting cumulative cortisol secretion of the past two months. Results showed that trauma load is negatively associated with HCC and higher symptoms of depression and anxiety. There was a negative association between HCC and symptoms. The present findings support the notion that cumulative trauma exposure exerts long-lasting effects on the expectant mother’s HPA axis activity functioning and mental health and may thereby potentially create risk trajectories for the unborn child via changes in gestational biology.
Spatial and temporal variation of CBPI and leakage of heavy metals from cigarette butts into the urban environment
Authors: Darabi Khadijeh , Hassani Ghasem , Alinejad Navid , Badeenezhad Ahmad
Published: January 2023

More than 5 trillion cigarettes are produced in the world every year. This hazardous waste is one of the most important litter in the environment. The purpose of this study was to investigate the density and dispersion of cigarette butts in the urban environment and to estimate the leakage of pollution from it to the environment. For this purpose, the cigarette butt pollution index was used in 14 locations. Observations were made during a year and once a month for each location. The study of the locations was done with the same conditions on weekend and working days. The amount of heavy metal leakage was estimated based on the average weight of cigarette butts and the ratio of metal leakage in different weather conditions. The results showed that the annual average of index for the studied locations was 1.36 (SD 0.11) to 10.6 (SD 1.23). Based on this, 28.5% of the locations were in the low pollution status and 42.8% were in the significant pollution status and worse. On average, the index on weekend decreased by 32.3 percent in all locations, and the average index of the studied locations in spring and summer was 26.2 percent higher than in autumn and winter. The average leakage of heavy metals including chromium, cadmium, zinc, lead, copper, and nickel from littered cigarette butts in commercial, residential, and recreational areas was estimated to be 0.27, 0.079, and 0.17 µg per square meter, respectively. Cigarette butt is one of the most abundant litter in the studied area, which is the source of many pollutants, including heavy metals. This hazardous waste is a serious threat to the urban environment.
As good as human experts in detecting plant roots in minirhizotron images but efficient and reproducible: the convolutional neural network “RootDetector”
Authors: Peters Bo , Blume-Werry Gesche , Gillert Alexander , Schwieger Sarah , von Lukas Uwe Freiherr , Kreyling Juergen
Published: January 2023

Plant roots influence many ecological and biogeochemical processes, such as carbon, water and nutrient cycling. Because of difficult accessibility, knowledge on plant root growth dynamics in field conditions, however, is fragmentary at best. Minirhizotrons, i.e. transparent tubes placed in the substrate into which specialized cameras or circular scanners are inserted, facilitate the capture of high-resolution images of root dynamics at the soil-tube interface with little to no disturbance after the initial installation. Their use, especially in field studies with multiple species and heterogeneous substrates, though, is limited by the amount of work that subsequent manual tracing of roots in the images requires. Furthermore, the reproducibility and objectivity of manual root detection is questionable. Here, we use a Convolutional Neural Network (CNN) for the automatic detection of roots in minirhizotron images and compare the performance of our RootDetector with human analysts with different levels of expertise. Our minirhizotron data come from various wetlands on organic soils, i.e. highly heterogeneous substrates consisting of dead plant material, often times mainly roots, in various degrees of decomposition. This may be seen as one of the most challenging soil types for root segmentation in minirhizotron images. RootDetector showed a high capability to correctly segment root pixels in minirhizotron images from field observations (F1 = 0.6044; r2 compared to a human expert = 0.99). Reproducibility among humans, however, depended strongly on expertise level, with novices showing drastic variation among individual analysts and annotating on average more than 13-times higher root length/cm2 per image compared to expert analysts. CNNs such as RootDetector provide a reliable and efficient method for the detection of roots and root length in minirhizotron images even from challenging field conditions. Analyses with RootDetector thus save resources, are reproducible and objective, and are as accurate as manual analyses performed by human experts.
Gray matter differences associated with menopausal hormone therapy in menopausal women: a DARTEL-based VBM study
Authors: Kim Tae-Hoon , Kim ByoungRyun , Kim Youe Ree , Jeong Chang-Won , Lee Young Hwan
Published: January 2023

Menopausal hormone therapy (MHT) in women can reduce troublesome menopause symptoms and prevent cognitive decline. This cross-sectional study investigated the MHT-related effect on brain morphology and its association with sex hormones in menopausal women by using an optimized diffeomorphic anatomical registration through exponentiated Lie algebra (DARTEL)-based voxel-based morphometry (VBM) method. Twenty-one menopausal women without MHT (noMHT) and 20 menopausal women with MHT were included in this study. Magnetic resonance imaging data were processed using SPM 12 with DARTEL-based VBM whole brain analysis approach. A 2-sample t-test and analysis of covariance (ANCOVA) adjusting for age and total intracranial volume were used to compare GM volume between noMHT and MHT women. The association between MHT (treatment period, hormones levels) and brain volume variations were analyzed by Spearman correlation. MHT women showed significantly larger volumes of the superior/middle/inferior frontal gyri, hypothalamus, inferior temporal gyrus, parahippocampal gyrus, hippocampus, cerebellar cortex, postcentral gyrus, precuneus, angular gyrus, supplementary motor area, superior occipital gyrus, and precentral gyrus compared to the noMHT women. The volumes of the angular gyrus and hypothalamus in MHT women positively correlated with treatment period. On the other hand, the hypothalamic volume negatively correlated with FSH and LH levels, and the volumes of the inferior frontal gyrus, and angular gyrus negatively correlated with progesterone levels, respectively. MHT-treated women showed larger GM volume than noMHT women. The anatomical structures that showed greater volume in association with MHT included the deep brain areas, frontal, temporal, parietal, and occipital gyri.
Synergistic effect of sulfonation followed by precipitation of amorphous calcium phosphate on the bone-bonding strength of carbon fiber reinforced polyetheretherketone
Authors: Takaoka Yusuke , Fujibayashi Shunsuke , Yabutsuka Takeshi , Yamane Yuya , Ishizaki Chihiro , Goto Koji , Otsuki Bungo , Kawai Toshiyuki , Shimizu Takayoshi , Okuzu Yaichiro , Masamoto Kazutaka , Shimizu Yu , Hayashi Makoto , Ikeda Norimasa , Matsuda Shuichi
Published: January 2023

Sulfonation and applications of amorphous calcium phosphate are known to make polyetheretherketone (PEEK) bioactive. Sulfonation followed by precipitation of amorphous calcium phosphate (AN-treatment) may provide PEEK with further bone-bonding strength. Herein, we prepared a carbon-fiber-reinforced PEEK (CPEEK) with similar tensile strength to cortical bone and a CPEEK subjected to AN-treatment (CPEEK-AN). The effect of AN-treatment on the bone-bonding strength generated at the interface between the rabbit’s tibia and a base material was investigated using a detaching test at two time-points (4 and 8 weeks). At 4 weeks, the strength of CPEEK-AN was significantly higher than that of CPEEK due to the direct bonding between the interfaces. Between 4 and 8 weeks, the different bone forming processes showed that, with CPEEK-AN, bone consolidation was achieved, thus improving bone-bonding strength. In contrast, with CPEEK, a new bone was absorbed mainly on the interface, leading to poor strength. These observations were supported by an in vitro study, which showed that pre-osteoblast on CPEEK-AN caused earlier maturation and mineralization of the extracellular matrix than on CPEEK. Consequently, AN-treatment, comprising a combination of two efficient treatments, generated a synergetic effect on the bonding strength of CPEEK.
Use of thoracoscopy for thoracic sympathetic nerve block in primary hyperhidrosis
Authors: Han Jung Wook , Ahn Seha , Jeong Jin Yong , Park Chan Beom , Eom Eunjin , Park Soo Seog
Published: January 2023

Thoracic sympathetic nerve block (TSNB) has been widely used in the treatment of neuropathic pain. To reduce block failure rates, TSNB is assisted with several modalities including fluoroscopy, computed tomography, and ultrasonography. The present study describes our experience assessing the usefulness of thoracoscopy in TSNB for predicting compensatory hyperhidrosis before sympathectomy in primary hyperhidrosis. From September 2013 to October 2021, TSNB was performed under local anesthesia using a 2-mm thoracoscope in 302 patients with severe primary hyperhidrosis. Among the 302 patients, 294 were included for analysis. The target level of TSNB was T3 in almost all patients. The mean procedure time was 21 min. Following TSNB, the mean temperature of the left and right palms significantly changed from 31.5 to 35.3 °C and from 31.5 to 34.8 °C, respectively. With TSNB, primary hyperhidrosis was relieved in all patients. Pneumothorax occurred in six patients, in which no chest tube insertion was required. One patient developed hemothorax and was discharged the next day after small-bore catheter drainage. Transient ptosis developed in 10 patients and improved within a day in all patients. Our experiences showed that thoracoscopic TSNB is accurate, safe, and feasible to block the thoracic sympathetic nerve in patients with severe primary hyperhidrosis.
Research on visual search behaviors of basketball players at different levels of sports expertise
Authors: Jin Peng , Ge Zhigang , Fan Tieming
Published: January 2023

This study aims to examine visual search strategies of skilled basketball players in an anticipation task. This study selected 48 experienced and inexperienced basketball players. The participants were grouped into novice and expert groups based on their experience. The participants were asked to look at series of pictures of offensive patterns of play in a basketball game from a third person perspective and chose one of the three options: passing, shooting and break through. This study measured and recorded the response time, key pressing results, and eye movements. Eye movement data were recorded using the Tobii X-3 120 eye tracker. The results showed that, the expert group demonstrated superior anticipation performance, and were more accuracy. In addition, the results showed that participants in the expert group and faster predicted the offensive way faster than the novice group. The results also showed that experienced basketball players employed a simple and efficient visual search strategy including greater fixation counts and longer fixation duration on more informative areas than the novice group. Furthermore, the visualization metrics showed that the expert group had a more concise fixation trajectory and focused mainly on key information area. Generally, expert players exhibited a more efficient and effective visual search strategy demonstrating better performance on anticipation tasks.
Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins
Authors: Maity Soham , Bingham Courtney , Sheng Wei , Ehyaei Nona , Chakraborty Debarshi , Tahmasebi-Nick Setare , Kimmel Thomas E. , Vasileiou Chrysoula , Geiger James H. , Borhan Babak
Published: January 2023

An engineered hCRBPII protein binds a coumarin-based fluorophore to yield a photoswitchable system via Michael/retro-Michael addition of a cysteine residue. Alternate UV/visible light irradiation accesses the two optical states.
A low-cost carbon-based electrochemical platform for determining 2,3-dihydroxyphenol: applications in natural water and biodiesel samples
Authors: da Penha Ricky de La Martini Pereira , dos Santos Clenilton Costa , Bezerra Cicero Wellington Brito , Damos Flavio Santos , Luz Rita de Cássia Silva
Published: January 2023

Determination of 2,3-dihydroxyphenol (DHP) phenolic compound in water and biodiesel samples exploiting functional groups of carbon black paste electrode.
Fluorescent “AND” logic gates for simultaneous detection of thiols and protons: photophysical properties, mechanism and bioimaging of living cells
Authors: Zhou Langping , Yu Zhihao , Zhang Guangzhu , Jin Zechen , Zhang Weibing , Qian Junhong
Published: January 2023

Fluorescent probes bearing thiol and proton receptors execute the “AND” logic function for detecting protons and thiols simultaneously. TP2 containing spacer1of two methylenes and 2-aminoethyl morpholine exhibited the best “AND” logic performance.
Preparation of matrix-matched standards for the analysis of teeth via laser ablation-inductively coupled plasma-mass spectrometry
Authors: Westerhausen Mika T. , Bernard Martin , Choi Gina , Jeffries-Stokes Christine , Chandrajith Rohana , Banati Richard , Bishop David P.
Published: January 2023

Matrix-matched calibrants improved the detection of toxic metals in teeth.
Injectable thermosensitive hydrogel to modulate tolerogenic dendritic cells under hyperglycemic condition
Authors: Zhu Yi , Winer Daniel , Goh Cynthia , Shrestha Annie
Published: January 2023

Injectable hydrogel modulated DCs towards the tolerogenic phenotype and induced regulatory T-cells under hyperglycemia.
Nanoparticle-mediated stimulus-responsive antibacterial therapy
Authors: Bag Neelanjana , Bardhan Souravi , Roy Shubham , Roy Jhilik , Mondal Dhananjoy , Guo Bing , Das Sukhen
Published: January 2023

This work demonstrates different stimulus-based antibacterial treatment strategies for both resistant bacteria and biofilms. Moreover, a future perspective has been illustrated for making these modalities clinically feasible.
A self-assembling CXCR4-targeted pyroptosis nanotoxin for melanoma therapy
Authors: Zhao Zheng , Huang Yingbin , Wang Jing , Lin Hongsheng , Cao Fei , Li Shuxin , Li Yin , Li Ziqian , Liu Xuekui
Published: January 2023

The self-assembling nanotoxin T22-PE24 that specifically targets CXCR4 was designed to selectively deliver the cytotoxic toxin PE24 to treat CXCR4+ melanoma via activating caspase 3/GSDME pathways in which initially “cold” tumors will become “hot”.
FeCoP nanosheets on NiO nanoparticles as electrocatalysts: tuning and stabilizing active sites for water splitting
Authors: Marimuthu Sundaramoorthy , Shankar Ayyavu , Maduraiveeran Govindhan
Published: January 2023

A novel strategy is reported for tailoring and stabilizing the interface of active sites on hierarchical three-dimensional (3D) iron-cobalt phosphide nanosheets on nickel oxide nanoparticles for overall water splitting.
A photoluminescent chiral lead-free hybrid ferroelastic semiconductor with switchable second-harmonic generation
Authors: Liu Qin , Peng Hang , Qi Jun-Chao , Lu Yan-Zi , Yang Shu-Jing , Liao Wei-Qiang
Published: January 2023

[R-3-hydroxylpiperidinium]2SbCl5is a photoluminescent chiral lead-free organic–inorganic ferroelastic semiconductor showing switchable second-harmonic generation response and clear ferroelastic domains.
Quasi-one-dimensional phosphorene nanoribbons grown on silicon by space-confined chemical vapor transport
Authors: Du Kaixiang , Wang Mingyuan , Liang Zhiping , Lv Quanjiang , Hou Haigang , Lei Shuangying , Hussain Shahid , Liu Guiwu , Liu Junlin , Qiao Guanjun
Published: January 2023

In this work, we present a strategy for the space-confined chemical vapor transport synthesis of quasi-one-dimensional surface-passivated monocrystalline PNRs on a silicon substrate.
A hexagon based Mn(ii) rod metal–organic framework – structure, SF6gas sorption, magnetism and electrochemistry
Authors: Amombo Noa Francoise M. , Cheung Ocean , Åhlén Michelle , Ahlberg Elisabet , Nehla Priyanka , Salazar-Alvarez Germán , Ershadrad Soheil , Sanyal Biplab , Öhrström Lars
Published: January 2023

Made from hexagon linkers and Mn(ii) the MOF CTH-18 shows high uptake of the 22 000-times-stronger-than-CO2greenhouse gas SF6at 0.1 bar, a pressure practically relevant for industrial SF6sorbents, combined with relatively fast kinetics.
The effect of axial and helical chirality on circularly polarized luminescence: lessons learned from tethered twistacenes
Authors: Bedi Anjan , Schwartz Gal , Hananel Uri , Manor Armon Amit , Shioukhi Israa , Markovich Gil , Gidron Ori
Published: January 2023

The effect of axial and helical twisting on the circularly polarized luminescence of acenes was studied both experimentally and computationally, using four series of tethered twisted acenes.
Structure, energetics and dynamics in crowded amino acid solutions: a molecular dynamics study
Authors: Panigrahy Sibasankar , Sahu Rahul , Reddy Sandeep K. , Nayar Divya
Published: January 2023

The performance of NBFIX reparameterization is assessed for crowded amino acid solutions to examine the thermodynamic, kinetic and hydration properties of solutions.
Structural insight into the magnesium borohydride – ethylenediamine solid-state Mg-ion electrolyte system
Authors: Golub Igor E. , Heere Michael , Gounaris Volodia , Li Xiao , Steenhaut Timothy , Wang Jian , Robeyns Koen , Li Hai-Wen , Dovgaliuk Iurii , Ikeda Kazutaka , Hautier Geoffroy , Filinchuk Yaroslav
Published: January 2023

A highly complicated structure of Mg(en)1.2(BH4)2 was solved from single crystal synchrotron X-ray diffraction, the new Mg(en)2(BH4)2 was shown to be its decomposition intermediate. The role of less reactive amorphous Mg(BH4)2 was demonstrated.
Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(iii) derived systems
Authors: Pilichos Evangelos , Tubau Ànnia , Speed Saskia , Font-Bardia Mercè , Escuer Albert , Grabulosa Arnald , Mayans Júlia
Published: January 2023

A new family of multidimensional lanthanide-derived systems using dppeO2 as a ligand exhibits multiple properties such as luminescence and field-induced slow relaxation of the magnetization.
Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding
Authors: David Arthur H. G. , Goodwin Rosemary J. , White Nicholas G.
Published: January 2023

Two new macrocycles containing bis(1,2,3-triazolyl)pyridine groups are reported. One forms nanotubes in the solid state, while the other binds anions and complexes transition metals.
Hydrothermal synthesis of an SnO2–rGO nanocomposite using tea extract as a reducing agent for daylight-driven photocatalyst and supercapacitors
Authors: Ragupathi Hariventhan , Jarvin M. , Inbanathan S. S. R. , Nayak Arpan Kumar , Choe Youngson
Published: January 2023

In this study, SnO2–reduced graphene oxide (rGO) nanocomposites (NCs) were synthesized via a hydrothermal method using tea extract as a reducing agent.
Uptake and stability of DNA nanostructures in cells: a cross-sectional overview of the current state of the art
Authors: Mathur Divita , Galvan Angelica Rose , Green Christopher M. , Liu Kevin , Medintz Igor L.
Published: January 2023

Schematic representation of the effect of nucleases on the stability of a DNA structure, which is shown to break along the edges. This article reviews the uptake of DNA nanostructures into mammalian cells for therapeutic interventions.
Homogeneous in-plane WSe2 P–N junctions for advanced optoelectronic devices
Authors: Yue Dewu , Ju Xin , Hu Tao , Rong Ximing , Liu Xinke , Liu Xiao , Ng Hong Kuan , Chi Dongzhi , Wang Xinzhong , Wu Jing
Published: January 2023

Through selective plasma doping, the in situ construction of homogeneous lateral WSe2 P–N junctions within a single WSe2 flake is achieved. Our device shows an external quantum efficiency of ∼228% and a high photoresponsivity of ∼7.1 × 104 mA W−1.
Directing oxygen reduction reaction selectivity towards hydrogen peroxide via electric double layer engineering
Authors: Chen Jingyi , Zhao Yilin , Yang Haozhou , Zhang Tianyu , Fan Lei , Li Chunfeng , Wang Lei
Published: January 2023

By introducing CTAB in the system to engineer an electric double layer structure, 2e− ORR performance on CoPc/C is strongly promoted.
Total synthesis of (−)-domoic acid, a potent ionotropic glutamate receptor agonist and the key compound in oceanic harmful algal blooms
Authors: Nishizawa Shigeru , Ouchi Hitoshi , Suzuki Hiroto , Ohnishi Takuma , Sasaki Shingo , Oyagi Yu , Kanakogi Masaki , Matsumura Yoshitaka , Nakagawa Shunsuke , Asakawa Tomohiro , Egi Masahiro , Inai Makoto , Yoshimura Fumihiko , Takita Ryo , Kan Toshiyuki
Published: January 2023

The stereo-controlled total synthesis of (−)-domoic acid is described, including the crucial formation of the trisubstitutedZ-olefin moiety and the incorporation of the side chain using modified Julia–Kocieński reaction in the final stage.
NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene N,S-acetals: synthesis of nitro-containing dihydropyridin-2-ones
Authors: Li Yarui , Huang Xiaoxia , Peng Shiyong , Wang Jian , Lang Ming
Published: January 2023

An efficient N-heterocyclic carbene (NHC)-catalyzed [3 + 3] cycloaddition of α-bromoenals with β-nitro enamines has been developed.
Bubble rising and interaction in ternary fluid flow: a phase field study
Authors: Shen Mingguang , Li Ben Q.
Published: January 2023

Bubble–droplet interaction is essential in the gas-flotation technique employed in wastewater treatment.
Small change for big improvement in the preparation of the key intermediate N1, N3-disubstituted 1,3,5-triazone of ensitrelvir
Authors: Hu Wei , Liu Yuanchang , Zhang Xiang , Zheng Panpan , Yang Feifei , Guo Guangyang , Xie Xin , Huang Jiuzhong , Chen Weiming
Published: January 2023

A four-step telescoped strategy for synthesis of the key intermediate of ensitrelvir, approved in Japan for the treatment of SARS-CoV-2 infection under the emergency regulatory approval system, was developed.
Thermodynamic origins of two-component multiphase condensates of proteins
Authors: Chew Pin Yu , Joseph Jerelle A. , Collepardo-Guevara Rosana , Reinhardt Aleks
Published: January 2023

We develop a computational method integrating a genetic algorithm with a residue-level coarse-grained model of intrinsically disordered proteins in order to uncover the molecular origins of multiphase condensates and enable their controlled design.
Visibly transparent supercapacitors
Authors: Kiruthika S. , Sneha Namuni , Gupta Ritu
Published: January 2023

Transparent supercapacitors hold great promise for futuristic electronics. This review discusses about the choice of electrode materials for achieving desirable transparency in supercapacitors without sacrificing the energy storage capacity.
Atomic layer deposition for surface area determination of solid oxide electrodes
Authors: Schmauss Travis A. , Barnett Scott A.
Published: January 2023

A method to measure the total surface area of porous electrodes is developed, leveraging the conformal atomic layer deposition of alumina over internal features, with example structures measured from the field of solid oxide electrochemical cells.
Mechanically robust and highly bactericidal macroporous polymeric gels based on quaternized N,N-(dimethylamino)ethyl methacrylate possessing varying alkyl chain lengths
Authors: Kumar Amit , Sharma Jyoti , Srivastava Preeti , Nebhani Leena
Published: January 2023

Fabrication of mechanically robust and highly bactericidal macroporous polymeric gels based on quaternized N,N-(dimethylamino)ethyl methacrylate possessing varying alkyl chain lengths.
Progress in the preparation of Prussian blue-based nanomaterials for biomedical applications
Authors: Lu Kun , Zhu Xiao-Yang , Li Yan , Gu Ning
Published: January 2023

The traditional preparation methods and emerging synthetic methods of Prussian Blue-based nanomaterials are summarized in this review, providing a reference for the design and biomedical application of PB-based nanomaterials.
Controlled molecular assemblies of chiral boron dipyrromethene derivatives for circularly polarized luminescence in the red and near-infrared regions
Authors: Sakai Hayato , Suzuki Yudai , Tsurui Makoto , Kitagawa Yuichi , Nakashima Takuya , Kawai Tsuyoshi , Kondo Yuta , Matsuba Go , Hasegawa Yasuchika , Hasobe Taku
Published: January 2023

We demonstrated the aggregation-enhanced emission and circularly polarized luminescence of chiral 1,1′-bi-2-naphthol-substituted boron dipyrromethene derivatives in the red and near-infrared regions.
Eco-friendly synthesis of ZnO-nanoparticles using Phoenix dactylifera L., polyphenols: physicochemical, microstructural, and functional assessment
Authors: Abdullah Johar Amin Ahmed , Rosado Mercedes Jiménez , Guerrero Antonio , Romero Alberto
Published: January 2023

Recently, nanoparticle (NP) synthesis has evolved into a green nanotechnology field, requiring more methods for the eco-synthesis of nanoparticles due to the high costs of other chemical–physical methods.
Understanding differences in rate versus product determining steps to enhance sequence control in epoxide/cyclic anhydride copolymers
Authors: Wood Zachary A. , Fieser Megan E.
Published: January 2023

One-pot synthesis of random, gradient, and block polyesters via the ring opening copolymerization of epoxides and cyclic anhydrides is investigated using simple yttrium salt catalysts. Impact of rate versus product determining steps is discussed.
Computational approaches to understand transcription regulation in development
Authors: van der Sande Maarten , Frölich Siebren , van Heeringen Simon J.
Published: January 2023

Gene regulatory networks (GRNs) serve as useful abstractions to understand transcriptional dynamics in developmental systems. Computational prediction of GRNs has been successfully applied to genome-wide gene expression measurements with the advent of microarrays and RNA-sequencing. However, these inferred networks are inaccurate and mostly based on correlative rather than causative interactions. In this review, we highlight three approaches that significantly impact GRN inference: (1) moving from one genome-wide functional modality, gene expression, to multi-omics, (2) single cell sequencing, to measure cell type-specific signals and predict context-specific GRNs, and (3) neural networks as flexible models. Together, these experimental and computational developments have the potential to significantly impact the quality of inferred GRNs. Ultimately, accurately modeling the regulatory interactions between transcription factors and their target genes will be essential to understand the role of transcription factors in driving developmental gene expression programs and to derive testable hypotheses for validation.
Multi‐feature fusion‐based strabismus detection for children
Authors: Zhang Guiying , Xu Wenjing , Gong Haotian , Sun Lilei , Li Cong , Chen Huicong , Xiang Daoman
Published: January 2023

Strabismus is a common ophthalmologic disease that affects approximately 1.19% to 5.0% of children; however if the disease is detected early it can be treated effectively. Generally, the automatic detection of strabismus is usually performed only by a single feature, which is, with image deep features or ratio features. However, the accuracy of a strabismus diagnosis with a single feature is unreliable. This study aims to develop an intelligent strabismus detection model driven by corneal light reflection photographs to automatically detect children's strabismus. The proposed multi‐feature fusion model (MFFM) improves the detection performance by fusing the deep features and ratio features extracted from the corneal light reflection photographs to identify strabismus. The experimental results demonstrate that our proposed multi‐feature model outperforms all of the single feature models in strabismus detection. The experiments show that the proposed method achieves an accuracy of 97.17%, sensitivity of 96.06%, specificity of 97.79%, and AUC of 0.969 in strabismus detection. Our evidence shows that it greatly improves the performance of strabismus detection.
Detailed α abundance trends in the inner Galactic bulge
Authors: Nieuwmunster N. , Nandakumar G. , Spitoni E. , Ryde N. , Schultheis M. , Rich R. M. , Barklem P. S. , Agertz O. , Renaud F. , Matteucci F.
Published: January 2023

Context. Until now, heavy interstellar extinction has meant that only a few studies of chemical abundances have been possible in the inner Galactic bulge. However, it is crucial to learn more about this structure in order to better understand the formation and evolution of the centre of the Galaxy and galaxies in general.

Aims. In this paper, we aim to derive high-precision α-element abundances using CRIRES high-resolution IR spectra of 72 cool M giants of the inner Galactic bulge.

Methods. Silicon, magnesium, and calcium abundances were determined by fitting a synthetic spectrum for each star. We also incorporated recent theoretical data into our spectroscopic analysis (i.e. updated K-band line list, better broadening parameter estimation, non-local thermodynamic equilibrium (NLTE) corrections). We compare these inner bulge α abundance trends with those of solar neighbourhood stars observed with IGRINS using the same line list and analysis technique; we also compare our sample to APOGEE DR17 abundances for inner bulge stars. We investigate bulge membership using spectro-photometric distances and orbital simulations. We construct a chemical-evolution model that fits our metallicity distribution function (MDF) and our α-element trends.

Results. Among our 72 stars, we find four that are not bulge members. [Si/Fe] and [Mg/Fe] versus [Fe/H] trends show a typical thick disc α-element behaviour, except that we do not see any plateau at supersolar metallicities as seen in other works. The NLTE analysis lowers [Mg/Fe] typically by ∼0.1 dex, resulting in a noticeably lower trend of [Mg/Fe] versus [Fe/H]. The derived [Ca/Fe] versus [Fe/H] trend has a larger scatter than those for Si and Mg, but is in excellent agreement with local thin and thick disc trends. With our updated analysis, we constructed one of the most detailed studies of the α abundance trends of cool M giants in the inner Galactic bulge. We modelled these abundances by adopting a two-infall chemical-evolution model with two distinct gas-infall episodes with timescales of 0.4 Gyr and 2 Gyr, respectively.

Conclusions. Based on a very meticulous spectral analysis, we have constructed detailed and precise chemical abundances of Mg, Si, and Ca for cool M giants. The present study can be used as a benchmark for future spectroscopic surveys.
Dynamical masses of two young transiting sub-Neptunes orbiting HD 63433
Authors: Mallorquín M. , Béjar V. J. S. , Lodieu N. , Zapatero Osorio M. R. , Tabernero H. , Suárez Mascareño A. , Zechmeister M. , Luque R. , Pallé E. , Montes D.
Published: January 2023

Context.Although the number of exoplanets reported in the literature exceeds 5000 so far, only a few dozen of them are young planets (≤900 Myr). However, a complete characterization of these young planets is key to understanding the current properties of the entire population. Hence, it is necessary to constrain the planetary formation processes and the timescales of dynamical evolution by measuring the masses of exoplanets transiting young stars.

Aims.We characterize and measure the masses of two transiting planets orbiting the 400 Myr old solar-type star HD 63433, which is a member of the Ursa Major moving group.

Methods.We analysed precise photometric light curves of five sectors of the TESS mission with a baseline of ~750 days and obtained ~150 precise radial velocity measurements with the visible and infrared arms of the CARMENES instrument at the Calar Alto 3.5 m telescope in two different campaigns of ~500 days. We performed a combined photometric and spectroscopic analysis to retrieve the planetary properties of two young planets. The strong stellar activity signal was modelled by Gaussian regression processes.Results.We have updated the transit parameters of HD 63433 b and c and obtained planet radii ofRpb= 2.140 ± 0.087R⊕andRpc= 2.692 ± 0.108R⊕. Our analysis allowed us to determine the dynamical mass of the outer planet with a 4σsignificance (Mpc= 15.54 ± 3.86M⊕) and set an upper limit on the mass of the inner planet at 3σ (Mpb< 21.76M⊕). According to theoretical models, both planets are expected to be sub-Neptunes, whose interiors mostly consist of silicates and water with no dominant composition of iron, and whose gas envelopes are lower than 2% in the case of HD 63433 c. The envelope is unconstrained in HD 63433 b.