bluuebunny/crossref_metadata_2025 huggingface dataset:
A Bin and a Bulk Microphysics Scheme Can Be More Alike Than Two Bin Schemes
Authors: Hu Arthur Z. , Igel Adele L.
Published: March 2023

Bin and bulk schemes are the two primary methods to parameterize cloud microphysical processes. This study attempts to reveal how their structural differences (size‐resolved vs. moment‐resolved) manifest in terms of cloud and precipitation properties. We use a bulk scheme, the Arbitrary Moment Predictor (AMP), which uses process parameterizations identical to those in a bin scheme but predicts only moments of the size distribution like a bulk scheme. As such, differences between simulations using AMP's bin scheme and simulations using AMP itself must come from their structural differences. In one‐dimensional kinematic simulations, the overall difference between AMP (bulk) and bin schemes is found to be small. Full‐microphysics AMP and bin simulations have similar mean liquid water path (mean percent difference <4%), but AMP simulates significantly lower mean precipitation rate (−35%) than the bin scheme due to slower precipitation onset. Individual processes are also tested. Condensation is represented almost perfectly with AMP, and only small AMP‐bin differences emerge due to nucleation, evaporation, and sedimentation. Collision‐coalescence is the single biggest reason for AMP‐bin divergence. Closer inspection shows that this divergence is primarily a result of autoconversion and not of accretion. In full microphysics simulations, lowering the diameter threshold separating cloud and rain category in AMP from to reduces the largest AMP‐bin difference to ∼10%, making the effect of structural differences between AMP (and perhaps triple‐moment bulk schemes generally) and bin even smaller than the parameterization differences between the two bin schemes.
Tunable interlayer excitons and switchable interlayer trions via dynamic near-field cavity
Authors: Koo Yeonjeong , Lee Hyeongwoo , Ivanova Tatiana , Kefayati Ali , Perebeinos Vasili , Khestanova Ekaterina , Kravtsov Vasily , Park Kyoung-Duck
Published: March 2023

Emerging photo-induced excitonic processes in transition metal dichalcogenide (TMD) heterobilayers, e.g., interplay of intra- and inter-layer excitons and conversion of excitons to trions, allow new opportunities for ultrathin hybrid photonic devices. However, with the associated large degree of spatial heterogeneity, understanding and controlling their complex competing interactions in TMD heterobilayers at the nanoscale remains a challenge. Here, we present an all-round dynamic control of interlayer-excitons and -trions in a WSe2/Mo0.5 W0.5 Se2 heterobilayer using multifunctional tip-enhanced photoluminescence (TEPL) spectroscopy with <20 nm spatial resolution. Specifically, we demonstrate the bandgap tunable interlayer excitons and the dynamic interconversion between interlayer-trions and -excitons, through the combinational tip-induced engineering of GPa-scale pressure and plasmonic hot electron injection, with simultaneous spectroscopic TEPL measurements. This unique nano-opto-electro-mechanical control approach provides new strategies for developing versatile nano-excitonic/trionic devices using TMD heterobilayers.
AI-powered drone-based automated inspection of FAST
Authors: Wang Lijun
Published: March 2023

Automated optical inspection of FAST is realized by exploiting advances in drone technology and deep-learning techniques. The AI-powered drone-based automated inspection is time-efficient and reliable, which guarantees the stable operation of FAST.
Longitudinal changes in neural gain and its relationship to cognitive control trajectory in young adults with early psychosis
Authors: Burgher Bjorn , Scott James , Cocchi Luca , Breakspear Michael
Published: March 2023

The mixed cognitive outcomes in early psychosis (EP) have important implications for recovery. In this longitudinal study, we asked whether baseline differences in the cognitive control system (CCS) in EP participants would revert toward a normative trajectory seen in healthy controls (HC). Thirty EP and 30 HC undertook functional MRI at baseline using the multi-source interference task—a paradigm that selectively introduces stimulus conflict—and 19 in each group repeated the task at 12 months. Activation of the left superior parietal cortex normalized over time for the EP group, relative to HC, coincident with improvements in reaction time and social-occupational functioning. To examine these group and timepoint differences, we used dynamic causal modeling to infer changes in effective connectivity between regions underlying the MSIT task execution, namely visual, anterior insula, anterior cingulate, and superior parietal cortical regions. To resolve stimulus conflict, EP participants transitioned from an indirect to a direct neuromodulation of sensory input to the anterior insula over timepoints, though not as strongly as HC participants. Stronger direct nonlinear modulation of the anterior insula by the superior parietal cortex at follow-up was associated with improved task performance. Overall, normalization of the CCS through adoption of more direct processing of complex sensory input to the anterior insula, was observed in EP after 12 months of treatment. Such processing of complex sensory input reflects a computational principle called gain control, which appears to track changes in cognitive trajectory within the EP group.
Mu-opioid receptor-expressing neurons in the paraventricular thalamus modulate chronic morphine-induced wake alterations
Authors: Eacret Darrell , Manduchi Elisabetta , Noreck Julia , Tyner Emma , Fenik Polina , Dunn Amelia D. , Schug Jonathan , Veasey Sigrid C. , Blendy Julie A.
Published: March 2023

Disrupted sleep is a symptom of many psychiatric disorders, including substance use disorders. Most drugs of abuse, including opioids, disrupt sleep. However, the extent and consequence of opioid-induced sleep disturbance, especially during chronic drug exposure, is understudied. We have previously shown that sleep disturbance alters voluntary morphine intake. Here, we examine the effects of acute and chronic morphine exposure on sleep. Using an oral self-administration paradigm, we show that morphine disrupts sleep, most significantly during the dark cycle in chronic morphine, with a concomitant sustained increase in neural activity in the Paraventricular Nucleus of the Thalamus (PVT). Morphine binds primarily to Mu Opioid Receptors (MORs), which are highly expressed in the PVT. Translating Ribosome Affinity Purification (TRAP)-Sequencing of PVT neurons that express MORs showed significant enrichment of the circadian entrainment pathway. To determine whether MOR + cells in the PVT mediate morphine-induced sleep/wake properties, we inhibited these neurons during the dark cycle while mice were self-administering morphine. This inhibition decreased morphine-induced wakefulness but not general wakefulness, indicating that MORs in the PVT contribute to opioid-specific wake alterations. Overall, our results suggest an important role for PVT neurons that express MORs in mediating morphine-induced sleep disturbance.
Robust total X-ray scattering workflow to study correlated motion of proteins in crystals
Authors: Meisburger Steve P. , Case David A. , Ando Nozomi
Published: March 2023

The breathing motions of proteins are thought to play a critical role in function. However, current techniques to study key collective motions are limited to spectroscopy and computation. We present a high-resolution experimental approach based on the total scattering from protein crystals at room temperature (TS/RT-MX) that captures both structure and collective motions. To reveal the scattering signal from protein motions, we present a general workflow that enables robust subtraction of lattice disorder. The workflow introduces two methods: GOODVIBES, a detailed and refinable lattice disorder model based on the rigid-body vibrations of a crystalline elastic network; and DISCOBALL, an independent method of validation that estimates the displacement covariance between proteins in the lattice in real space. Here, we demonstrate the robustness of this workflow and further demonstrate how it can be interfaced with MD simulations towards obtaining high-resolution insight into functionally important protein motions.
Key innovations and the diversification of Hymenoptera
Authors: Blaimer Bonnie B. , Santos Bernardo F. , Cruaud Astrid , Gates Michael W. , Kula Robert R. , Mikó István , Rasplus Jean-Yves , Smith David R. , Talamas Elijah J. , Brady Seán G. , Buffington Matthew L.
Published: March 2023

The order Hymenoptera (wasps, ants, sawflies, and bees) represents one of the most diverse animal lineages, but whether specific key innovations have contributed to its diversification is still unknown. We assembled the largest time-calibrated phylogeny of Hymenoptera to date and investigated the origin and possible correlation of particular morphological and behavioral innovations with diversification in the order: the wasp waist of Apocrita; the stinger of Aculeata; parasitoidism, a specialized form of carnivory; and secondary phytophagy, a reversal to plant-feeding. Here, we show that parasitoidism has been the dominant strategy since the Late Triassic in Hymenoptera, but was not an immediate driver of diversification. Instead, transitions to secondary phytophagy (from parasitoidism) had a major influence on diversification rate in Hymenoptera. Support for the stinger and the wasp waist as key innovations remains equivocal, but these traits may have laid the anatomical and behavioral foundations for adaptations more directly associated with diversification.
Improving adenine and dual base editors through introduction of TadA-8e and Rad51DBD
Authors: Xue Niannian , Liu Xu , Zhang Dan , Wu Youming , Zhong Yi , Wang Jinxin , Fan Wenjing , Jiang Haixia , Zhu Biyun , Ge Xiyu , Gonzalez Rachel V. L. , Chen Liang , Zhang Shun , She Peilu , Zhong Zhilin , Sun Jianjian , Chen Xi , Wang Liren , Gu Zhimin , Zhu Ping , Liu Mingyao , Li Dali , Zhong Tao P. , Zhang Xiaohui
Published: March 2023

Base editors, including dual base editors, are innovative techniques for efficient base conversions in genomic DNA. However, the low efficiency of A-to-G base conversion at positions proximal to the protospacer adjacent motif (PAM) and the A/C simultaneous conversion of the dual base editor hinder their broad applications. In this study, through fusion of ABE8e with Rad51 DNA-binding domain, we generate a hyperactive ABE (hyABE) which offers improved A-to-G editing efficiency at the region (A10-A15) proximal to the PAM, with 1.2- to 7-fold improvement compared to ABE8e. Similarly, we develop optimized dual base editors (eA&C-BEmax and hyA&C-BEmax) with markedly improved simultaneous A/C conversion efficiency (1.2-fold and 1.5-fold improvement, respectively) compared to A&C-BEmax in human cells. Moreover, these optimized base editors catalyze efficiently nucleotide conversions in zebrafish embryos to mirror human syndrome or in human cells to potentially treat genetic diseases, indicating their great potential in broad applications for disease modeling and gene therapy.
Periodic temperature changes drive the proliferation of self-replicating RNAs in vesicle populations
Authors: Salibi Elia , Peter Benedikt , Schwille Petra , Mutschler Hannes
Published: March 2023

Growth and division of biological cells are based on the complex orchestration of spatiotemporally controlled reactions driven by highly evolved proteins. In contrast, it remains unknown how their primordial predecessors could achieve a stable inheritance of cytosolic components before the advent of translation. An attractive scenario assumes that periodic changes of environmental conditions acted as pacemakers for the proliferation of early protocells. Using catalytic RNA (ribozymes) as models for primitive biocatalytic molecules, we demonstrate that the repeated freezing and thawing of aqueous solutions enables the assembly of active ribozymes from inactive precursors encapsulated in separate lipid vesicle populations. Furthermore, we show that encapsulated ribozyme replicators can overcome freezing-induced content loss and successive dilution by freeze-thaw driven propagation in feedstock vesicles. Thus, cyclic freezing and melting of aqueous solvents – a plausible physicochemical driver likely present on early Earth – provides a simple scenario that uncouples compartment growth and division from RNA self-replication, while maintaining the propagation of these replicators inside new vesicle populations.
PLEIAData: consumption, HVAC, temperature, weather and motion sensor data for smart buildings applications
Authors: Ibarra Antonio Martínez , González-Vidal Aurora , Skarmeta Antonio
Published: March 2023

The current cost that energy represents is crucial in a field like climate control which has high energy demands, therefore its reduction must be prioritized. The expansion of ICT and IoT come with an extensive deployment of sensors and computation infrastructure creating an opportunity to analyze and optimize energy management. Data on building internal and external conditions is essential for developing efficient control strategies in order to minimize energy consumption while maintaining users’ comfort inside. We here present a dataset that provides key features that could be useful for a wide range of applications in the context of modeling temperature and consumption via Artificial Intelligence algorithms. The data gathering has taken place for almost 1 year in the Pleiades building of the University of Murcia, which is a pilot building of the European project PHOENIX aiming to improve building energy efficiency.
Primary ILM peeling during retinal detachment repair: a systematic review and meta-analysis
Authors: Lamas-Francis David , Bande-Rodríguez Manuel , Blanco-Teijeiro María José
Published: March 2023

Epiretinal membrane (ERM) formation is a known postoperative complication following retinal detachment (RD) repair surgery. Prophylactic peeling of the internal limiting membrane (ILM) during surgery has been shown to reduce the risk of developing postoperative ERM formation. Some baseline characteristics and degrees of surgical complexity may act as risk factors for ERM development. In this review we aimed to investigate the benefit of ILM peeling in patients without significant proliferative vitreoretinopathy (PVR) who underwent pars plana vitrectomy for RD repair. A literature search using PubMed and various keywords retrieved relevant papers from which data were extracted and analyzed. Finally, the results of 12 observational studies (3420 eyes) were summarized. ILM peeling significantly reduced the risk of postoperative ERM formation (RR = 0.12, 95% CI 0.05–0.28). The groups did not differ in final visual acuity (SMD 0.14 logMAR (95% CI − 0.03–0.31)). The risk of RD recurrence (RR = 0.51, 95% CI 0.28–0.94) and the need for secondary ERM surgery (RR = 0.05, 95% CI 0.02–0.17) were also higher in the non-ILM peeling groups. In summary, although prophylactic ILM peeling appears to reduce the rate of postoperative ERM, this benefit does not translate into consistent visual recovery across studies and potential complications must be considered.
Room-temperature bonding of Al2O3 thin films deposited using atomic layer deposition
Authors: Takakura Ryo , Murakami Seigo , Watanabe Kaname , Takigawa Ryo
Published: March 2023

In this study, room-temperature wafer bonding of Al2O3 thin films on Si thermal oxide wafers, which were deposited using atomic layer deposition (ALD), was realized using the surface-activated bonding (SAB) method. Transmission electron microscopy (TEM) observations indicated that these room-temperature-bonded Al2O3 thin films appeared to work well as nanoadhesives that formed strong bond between thermally oxidized Si films. The perfect dicing of the bonded wafer into dimensions of 0.5 mm × 0.5 mm was successful, and the surface energy, which is indicative of the bond strength, was estimated to be approximately 1.5 J/m2. These results indicate that strong bonds can be formed, which may be sufficient for device applications. In addition, the applicability of different Al2O3 microstructures in the SAB method was investigated, and the effectiveness of applying ALD Al2O3 was experimentally verified. This successful SAB of Al2O3 thin films, which is a promising insulator material, opens the possibility of future room-temperature heterogenous integration and wafer-level packaging.
Technical assessment of different extraction methods and transcriptome profiling of RNA isolated from small volumes of blood
Authors: Kalikiri Mahesh Kumar Reddy , Manjunath Harshitha Shobha , Vempalli Fazulur Rehaman , Mathew Lisa Sara , Liu Li , Wang Li , Wang Guishuang , Wang Kun , Soloviov Oleksandr , Lorenz Stephan , Tomei Sara
Published: March 2023

Transcriptome profiling of human whole blood is used to discover biomarkers of diseases and to assess phenotypic traits. Recently, finger-stick blood collection systems have allowed a less invasive and quicker collection of peripheral blood. Such non-invasive sampling of small volumes of blood offers practical advantages. The quality of gene expression data is strictly dependent on the steps used for the sample collection, extraction, preparation and sequencing. Here we have: (i) compared the manual and automated RNA extraction of small volumes of blood using the Tempus Spin RNA isolation kit and the MagMAX for Stabilized Blood RNA Isolation kit , respectively; and (ii) assessed the effect of TURBO DNA Free treatment on the transcriptomic data of RNA isolated from small volumes of blood. We have used the QuantSeq 3′ FWD mRNA-Seq Library Prep kit to prepare RNA-seq libraries, which were sequenced on the Illumina NextSeq 500 system. The samples isolated manually displayed a higher variability in the transcriptomic data as compared to the other samples. The TURBO DNA Free treatment affected the RNA samples negatively, decreasing the RNA yield and reducing the quality and reproducibility of the transcriptomic data. We conclude that automated extraction systems should be preferred over manual extraction systems for data consistency, and that the TURBO DNA Free treatment should be avoided when working on RNA samples isolated manually from small volumes of blood.
Significance of pulse pressure variability in predicting functional outcome in acute ischemic stroke: a retrospective, single-center, observational cohort study
Authors: Kamieniarz-Mędrygał Maria , Kaźmierski Radosław
Published: March 2023

This study aimed to determine the association between pulse pressure variability (PPV) and short- and long-term outcomes of acute ischemic stroke (AIS) patients. We studied 203 tertiary stroke center patients with AIS. PPV during 72 h after admission was analyzed using different variability parameters including standard deviation (SD). Patients’ outcome was assessed after 30 and 90 days post-stroke with modified Rankin Scale. The association between PPV and outcome was investigated using logistic regression analysis with adjustment for potential confounders. The predictive significance of PPV parameters was determined using area under the curve (AUC) of receiver operating characteristics. In the unadjusted logistic regression analysis, all PPV indicators were independently associated with unfavorable outcome at 30 days (i.a. Odds ratio (OR) = 4.817, 95%CI 2.283–10.162 per 10 mmHg increase in SD, p = 0.000) and 90 days (i.a. OR = 4.248, 95%CI 2.044–8.831 per 10 mmHg increase in SD, p = 0.000). After adjustment for confounders, ORs for all PPV indicators remained statistically significant. On the basis of AUC values, all PPV parameters were found relevant outcome predictors (p < 0.01). In conclusion, elevated PPV during first 72 h after admission due to AIS is associated with unfavorable outcome at 30 and 90 days, independent of mean blood pressure levels.
Risk factors associated with limited functional status among out-of-hospital patients 30 days and one year after a diagnosis of COVID-19: a cohort study
Authors: Laskovski Larissa , Felcar Josiane Marques , Fillis Michelle Moreira Abujamra , Trelha Celita Salmaso
Published: March 2023

Some people experience indefinitely persistent and disabling symptoms after acute COVID-19, even those who have not been hospitalized. The purpose of this study was to analyze the long-term health consequences at 30 days and one year among people who were not hospitalized after a diagnosis of COVID-19 and to analyze which variables predict limitations in functional status. This is a prospective cohort study with non-hospitalized adults infected with SARS-CoV-2 in the city of Londrina. After 30 days and one year of the acute symptoms of COVID-19, participants received the questionnaire through a social media that consisted of sociodemographic data and data on functionality through the Post-COVID Functional State Scale (PCFS)—the primary outcome of the study "presence of functional status limitation" was grouped into without functional status limitation (value: zero) and with functional limitation (value 1 to 4), fatigue through of the Fatigue Severity Scale (FSS) and dyspnea using the modified Borg scale. In the statistical analysis, multivariable analysis was performed. Statistical significance was set to 5%. Of 140 individuals analyzed, 103 (73.6%) were female with a median age of 35.5 (27–46) years. One year after the diagnosis of COVID-19, 44.3% had at least one self-reported symptom: memory loss (13.6%), gloominess (8.6%), anosmia (7.9%), body pain (7.1%), ageusia (7%), headache (6.4%), and cough (3.6%). According to the FSS and modified Borg scale 42.9% reported fatigue and 18.6% reported dyspnea, respectively. As for functionality, 40.7% reported some limitation, being 24.3% negligible functional limitation, 14.3% slight and 2.1% moderate according to the PCFS. There was a univariate association between the presence of limitation in the functional status with the female sex, diagnosis of anxiety and depression, presence of persistent symptoms after one year, fatigue and dyspnea. In the multivariable analysis, the predictor variables for functional status limitation were female sex, diagnosis of anxiety/depression, presence of at least one persistent symptom and fatigue one year after the diagnosis of COVID-19. One year after the disease, the patients presented functional limitation according to the PCFS, even without hospitalization. Risk factors associated with functional limitation include female sex, presence of fatigue, anxiety and depression, and at least one persistent symptom after one year of COVID-19 diagnosis.
High-frequency spin torque oscillation in orthogonal magnetization disks with strong biquadratic magnetic coupling
Authors: Liu C. , Kurokawa Y. , Hashimoto N. , Tanaka T. , Yuasa H.
Published: March 2023

In this study, we numerically investigate the spin transfer torque oscillation (STO) in a magnetic orthogonal configuration by introducing a strong biquadratic magnetic coupling. The orthogonal configuration consists of top and bottom layers with in-plane and perpendicular magnetic anisotropy sandwiching a nonmagnetic spacer. The advantage of an orthogonal configuration is the high efficiency of spin transfer torque leading a high STO frequency; however, maintaining the STO in a wide range of electric current is challenging. By introducing biquadratic magnetic coupling into the orthogonal structure of FePt/spacer/Co90Fe10, Ni80Fe20or Ni, we were able to expand the electric current region in which the stable STO is realized, resulting in a relatively high STO frequency. For example, approximately 50 GHz can be achieved in an Ni layer at a current density of 5.5 × 107A/cm2. In addition, we investigated two types of initial magnetic state: out-of-plane and in-plane magnetic saturation; this leads to a vortex and an in-plane magnetic domain structure after relaxation, respectively. The transient time before the stable STO was reduced to between 0.5 and 1.8 ns by changing the initial state from out-of-plane to in-plane.
Effect of Vitamin D analog supplementation on levator ani strength and plasma Vitamin D receptor expression in uterine prolapse patients
Authors: Kurniadi Andi , Dewi Asri Kurnia , Sasotya R. M. Sonny , Purwara Benny Hasan , Kireina Jessica
Published: March 2023

Uterine prolapse is a pathological condition that can negatively impact women's quality of life. It is caused by weakening of the pelvic floor muscles. Function of levator ani muscle and other striated muscles is thought to be influenced by Vitamin D levels. Vitamin D exerts its biological effects by adhering to Vitamin D receptors (VDRs) present in striated muscles. We aim to analyze the effect of Vitamin D analog supplementation on levator ani muscle strength in uterine prolapse patients. This was a quasi-experimental study with a pre-post design on 24 postmenopausal women diagnosed with grade III and IV uterine prolapse. Vitamin D levels, VDR, levator ani muscle, and hand grip muscle strength were measured before and after three months of Vitamin D analog supplementation. We found that Vitamin D level, VDR serum level, levator ani muscle strength, and hand grip muscle strength all significantly increase (p < 0.001) following Vitamin D analog supplementation. The correlation coefficient between levator ani muscle and handgrip muscle strength was 0.616 and with p value of 0.001. To conclude, Vitamin D analog supplementation can significantly increase levator ani muscle strength in uterine prolapse patients. We propose that determining Vitamin D level in postmenopausal women and replenishing its deficiency with Vitamin D analog supplementation might aid in preventing POP progression.
An interpretable transformer network for the retinal disease classification using optical coherence tomography
Authors: He Jingzhen , Wang Junxia , Han Zeyu , Ma Jun , Wang Chongjing , Qi Meng
Published: March 2023

Retinal illnesses such as age-related macular degeneration and diabetic macular edema will lead to irreversible blindness. With optical coherence tomography (OCT), doctors are able to see cross-sections of the retinal layers and provide patients with a diagnosis. Manual reading of OCT images is time-consuming, labor-intensive and even error-prone. Computer-aided diagnosis algorithms improve efficiency by automatically analyzing and diagnosing retinal OCT images. However, the accuracy and interpretability of these algorithms can be further improved through effective feature extraction, loss optimization and visualization analysis. In this paper, we propose an interpretable Swin-Poly Transformer network for performing automatically retinal OCT image classification. By shifting the window partition, the Swin-Poly Transformer constructs connections between neighboring non-overlapping windows in the previous layer and thus has the flexibility to model multi-scale features. Besides, the Swin-Poly Transformer modifies the importance of polynomial bases to refine cross entropy for better retinal OCT image classification. In addition, the proposed method also provides confidence score maps, assisting medical practitioners to understand the models’ decision-making process. Experiments in OCT2017 and OCT-C8 reveal that the proposed method outperforms both the convolutional neural network approach and ViT, with an accuracy of 99.80% and an AUC of 99.99%.
Association of ApaI rs7975232 and BsmI rs1544410 in clinical outcomes of COVID-19 patients according to different SARS-CoV-2 variants
Authors: Al-Gharrawi Ayad Naji Radha , Anvari Enayat , Fateh Abolfazl
Published: March 2023

A growing body of research has shown how important vitamin D is in the prognosis of coronavirus disease 19 (COVID-19). The vitamin D receptor is necessary for vitamin D to perform its effects, and its polymorphisms can help in this regard. Therefore, we aimed to evaluate whether the association of ApaI rs7975232 and BsmI rs1544410 polymorphisms in different severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants were influential in the outcomes of COVID-19. The polymerase chain reaction-restriction fragment length polymorphism method was utilized to determine the different genotypes of ApaI rs7975232 and BsmI rs1544410 in 1734 and 1450 patients who had recovered and deceased, respectively. Our finding revealed that the ApaI rs7975232 AA genotype in the Delta and Omicron BA.5 and the CA genotype in the Delta and Alpha variants were associated with higher mortality rate. Also, the BsmI rs1544410 GG genotype in the Delta and Omicron BA.5 and the GA genotype in the Delta and Alpha variants were related to a higher mortality rate. The A-G haplotype was linked with COVID-19 mortality in both the Alpha and Delta variants. The A-A haplotype for the Omicron BA.5 variants was statistically significant. In conclusion, our research revealed a connection between SARS-CoV-2 variants and the impacts of ApaI rs7975232 and BsmI rs1544410 polymorphisms. However, more research is still needed to substantiate our findings.
Effect of Fc core fucosylation and light chain isotype on IgG1 flexibility
Authors: Saporiti Simona , Laurenzi Tommaso , Guerrini Uliano , Coppa Crescenzo , Palinsky Wolf , Benigno Giulia , Palazzolo Luca , Ben Mariem Omar , Montavoci Linda , Rossi Mara , Centola Fabio , Eberini Ivano
Published: March 2023

N-glycosylation plays a key role in modulating the bioactivity of monoclonal antibodies (mAbs), as well as the light chain (LC) isotype can influence their physicochemical properties. However, investigating the impact of such features on mAbs conformational behavior is a big challenge, due to the very high flexibility of these biomolecules. In this work we investigate, by accelerated molecular dynamics (aMD), the conformational behavior of two commercial immunoglobulins G1 (IgG1), representative of κ and λ LCs antibodies, in both their fucosylated and afucosylated forms. Our results show, through the identification of a stable conformation, how the combination of fucosylation and LC isotype modulates the hinge behavior, the Fc conformation and the position of the glycan chains, all factors potentially affecting the binding to the FcγRs. This work also represents a technological enhancement in the conformational exploration of mAbs, making aMD a suitable approach to clarify experimental results.
Antibacterial, wet adhesive, and healing-promoting nanosheets for the treatment of oral ulcers
Authors: Fu Haijun , Yang Jiayu , Shen Zongshan , Zhang Yong , Kuang Shuhong , Li Lifeng , Lin Zhengmei , Shi Xuetao
Published: March 2023

With good physical properties, tissue adhesion, biocompatibility, and antibacterial properties, APCNs could effectively seal the ulcer surface, play an antibacterial role, reduce the inflammatory reaction, and accelerate the healing of the ulcer.
Visible-light driven H2 evolution coupled with furfuryl alcohol selective oxidation over Ru atom decorated Zn0.5Cd0.5S nanorods
Authors: Yang Fan , Liu Shengqiang , Tang Ting , Yao Shuang , An Changhua
Published: March 2023

Ru decorated Zn0.5Cd0.5S nanorods are synthesized, exhibiting excellent photocatalytic activity of furfuryl alcohol oxidation coupled with H2 evolution.
Evaluating the overall performance of immobilized particles through different crosslinking strategies and their nitrification characteristics
Authors: Li Jun , Wang Shuailing , Zheng Zhaoming , Wang Zhaozhao , Zhang Jing , Wei Pengyuan
Published: March 2023

In short-term experiments, PVA–SA (S) and PVA–SA (N) particles had good particle stability and biological activity. The PVA–SA (S) particles had better performance in long-term experiments.
Resorculins: hybrid polyketide macrolides from Streptomyces sp. MST-91080
Authors: Lacey Heather J. , Chen Rachel , Vuong Daniel , Lacey Ernest , Rutledge Peter J. , Chooi Yit-Heng , Piggott Andrew M. , Booth Thomas J.
Published: March 2023

The discovery of the resoruclins, new 3,5-dihydroxybenzoic acid containing macrolides for Steptomyces sp. MST-91080, and their putative biosynthetic pathway.
Bioinks adapted for in situ bioprinting scenarios of defect sites: a review
Authors: Li Ruojing , Zhao Yeying , Zheng Zhiqiang , Liu Yangyang , Song Shurui , Song Lei , Ren Jianan , Dong Jing , Wang Peige
Published: March 2023

Design points and applicable scenarios for bioinks in in situ 3D bioprinting.
Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis
Authors: Linde Sif T. , Corti Vasco , Lauridsen Vibeke H. , Lamhauge Johannes N. , Jørgensen Karl Anker , Rezayee Nomaan M.
Published: March 2023

A robust and efficient method is disclosed for the atroposelective C–H bromination of biaryls to procure versatile chiral templates employing high-valent palladium catalysis.
Balancing photosynthesis, O2 consumption, and H2 recycling for sustained H2 photoproduction in pulse-illuminated algal cultures
Authors: Vajravel Sindhujaa , Allahverdiyeva Yagut , Kosourov Sergey
Published: March 2023

Sustained H2 photoproduction by green alga Chlamydomonas reinhardtii is achieved under pulse-illumination superimposed on continuous low background light. Pulse-illuminated algae act as biocatalysts producing H2via direct water biophotolysis.
PEG-fibrin conjugates: the PEG impact on the polymerization dynamics
Authors: Bakulina Alesia A. , Musina Guzel R. , Gavdush Arsenii A. , Efremov Yuri M. , Komandin Gennady A. , Vosough Massoud , Shpichka Anastasia I. , Zaytsev Kirill I. , Timashev Peter S.
Published: March 2023

Our findings led us to speculate that PEG-fibrin conjugates formed homogenously distributed aggregates without bundling compared to native fibrin, ensuring rapid gelation and stabilization of the system without increasing its complexity.
Ligand-based modulation of the electronic structure at metal nodes in MOFs to promote the oxygen evolution reaction
Authors: Wang Hao , Gu Mingzheng , Huang Xiaomin , Gao An , Liu Xudong , Sun Ping , Zhang Xiaojun
Published: March 2023

Exploring and designing efficacious metal–organic framework (MOF) electrocatalysts may unravel the thorny aspects limiting oxygen evolution reaction (OER) with molecular accuracy.
Impacts of host–guest assembly on the photophysical and photocatalytic properties of heterogenized molecular photosensitizer and catalysts
Authors: Shi Jianying , Su Zhifang , Li Xuan , Feng Jianxin , Men Chengzheng
Published: March 2023

This review highlights the integration of molecular guests with MOF architectures, enabling enzyme-like efficacy to isolate or preorganize photo-active and redox-active sites and manipulate the photophysical and photocatalytic properties.
Ultrasmall superparamagnetic iron oxide nanoparticles for enhanced tumor penetration
Authors: Feng Xue , Xue Yuxiang , Gonca Sevil , Ji Kunlang , Zhang Mei , García-García Francisco R. , Li Quan , Huang Yi , Kamenev Konstantin V. , Chen Xianfeng
Published: March 2023

This work suggests that, in the presence of a magnetic field, the size and magnetization of ultrasmall superparamagnetic Fe3O4nanoparticles play dominant roles in tumor penetration.
Rational design of hybridized local and charge transfer emitters towards high-performance fluorescent blue OLEDs
Authors: Wang Shuxin , Li Hanlin , Song Zhen , Jiang He , Zhang Xiandi , Tsang Chui-Shan , Liu Quanlin , Lee Lawrence Yoon Suk , Ma Dongge , Wong Wai-Yeung
Published: March 2023

We present two HLCT blue emitters by grafting anthracene in the D–A segment. The blue OLEDs exhibit a good performance with an EQEmax up to 5.53%. It is revealed that hRISC from T2 to S1 serves as an efficient approach to harvest the triplet exciton.
Improvement of a multi-tubular Fischer–Tropsch reactor with gas recycle by appropriate combination of axial activity distribution and gas velocity
Authors: Kern Christoph , Jess Andreas
Published: March 2023

In this paper, the influence of a gas recycle on the performance of a multi-tubular Fischer–Tropsch reactor for different total CO conversions and superficial gas velocities was investigated.
N^Nvs.N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes
Authors: Karmakar Himadri , Kumar Ravi , Sharma Jyoti , Bag Jayanta , Pal Kuntal , Panda Tarun K. , Chandrasekhar Vadapalli
Published: March 2023

Six aluminum complexes supported by imino-phosphanamidinate chalcogenide ligands are synthesized, structurally characterized and utilized as competent catalysts for hydroboration of nitriles, alkynes, and alkenes under mild and solvent-free conditions.
Improvement effect of a next-generation probiotic L. plantarum-pMG36e-GLP-1 on type 2 diabetes mellitus via the gut–pancreas–liver axis
Authors: Hu Hong , Luo Jie , Liu Ying , Li Hongyu , Jin Rui , Li Shengjie , Wei Jing , Wei Hong , Chen Tingtao
Published: March 2023

A next-generation probiotic Lactobacillus plantarum-pMG36e-GLP-1 was constructed to express GLP-1 in vivo, which may affect the gut-pancreas-liver axis, thereby relieving the symptoms of HFD/STZ-induced T2DM mice and db/db mice.
Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives via a regioselective oxidative annulation reaction
Authors: Liu Donghan , Song Siyu , Chen Longkun , Zhang Mingshuai , Liu Zhuoyuan , Lu Xihang , Huang Jiuzhong , Yu Fuchao
Published: March 2023

Polyfunctional thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives are easily constructed via a metal-free regioselective oxidative annulation reaction.
The electronic and mechanical properties of (U, Th)O2 compounds: a first-principles study
Authors: Zhu Jianguo , Shi Diwei
Published: March 2023

Alloying is widely acknowledged as an effective strategy for enhancing the performance of UO2 nuclear fuel.
Medicinal chemistry perspective of pyrido[2,3-d]pyrimidines as anticancer agents
Authors: Kumar Adarsh , Bhagat Kuber Kumar , Singh Ankit Kumar , Singh Harshwardhan , Angre Tanuja , Verma Amita , Khalilullah Habibullah , Jaremko Mariusz , Emwas Abdul-Hamid , Kumar Pradeep
Published: March 2023

Pyrido[2,3-d]pyrimidines against various types of cancer.
Case analysis and future aspects of photo/thermocatalytic hydrogen production from methanol
Authors: Kibar Murat Efgan , Hilal Lina , Ben Abdeljelil Brahim
Published: March 2023

The need for alternative energy is growing daily due to population growth and fuel consumption around the world.
Unravelling catalytic activity trends in ceria surfaces toward the oxygen reduction and water oxidation reactions
Authors: Lucchetti Lanna E. B. , A. S. Autreto Pedro , de Almeida James M. , Santos Mauro C. , Siahrostami Samira
Published: March 2023

Different facets of ceria exhibit activities for the entire spectrum of oxygen electrochemistry.
Oligo(ethylene glycol)-incorporated hole transporting polymers for efficient and stable inverted perovskite solar cells
Authors: Lim Chulhee , Kim Youngwoong , Lee Seungjin , Park Helen Hejin , Jeon Nam Joong , Kim Bumjoon J.
Published: March 2023

We develop a series of poly(triarylamine)-based polymers with hydrophilic OEG side chains. The DEG-PTAA-based perovskite solar cell shows the highest efficiency of 22.26% with superior operational stability to the other devices.
Protein–RNA interactions: from mass spectrometry to drug discovery
Authors: Steinmetz Benjamin , Smok Izabela , Bikaki Maria , Leitner Alexander
Published: March 2023

Proteins and RNAs are fundamental parts of biological systems, and their interactions affect many essential cellular processes. Therefore, it is crucial to understand at a molecular and at a systems level how proteins and RNAs form complexes and mutually affect their functions. In the present mini-review, we will first provide an overview of different mass spectrometry (MS)-based methods to study the RNA-binding proteome (RBPome), most of which are based on photochemical cross-linking. As we will show, some of these methods are also able to provide higher-resolution information about binding sites, which are important for the structural characterisation of protein–RNA interactions. In addition, classical structural biology techniques such as nuclear magnetic resonance (NMR) spectroscopy and biophysical methods such as electron paramagnetic resonance (EPR) spectroscopy and fluorescence-based methods contribute to a detailed understanding of the interactions between these two classes of biomolecules. We will discuss the relevance of such interactions in the context of the formation of membrane-less organelles (MLOs) by liquid–liquid phase separation (LLPS) processes and their emerging importance as targets for drug discovery.
Multiwavelength and astrometric study of the DBS 89−90−91 embedded clusters region
Authors: Corti M. A. , Baume G. L. , Orellana R. B. , Suad L. A.
Published: March 2023

Aims. Our main aims are to improve our understanding of the main properties of the radio source G316.8−0.1 (IRAS 14416−5937) where the DBS 89−90−91 embedded clusters are located, to identify the stellar population present in this region, and to study the interaction of these stars with the interstellar medium.

Methods. We analyzed some characteristics of the G316.8−0.1 radio source, consulting the SUMSS to study the radio continuum emission at 843 MHz and the H I SGPS at 21 cm. We also used photometric data at the JHK bands in the region of DBS 89−90−91 clusters obtained from the VVV survey and supplemented with the 2MASS catalogue. Our investigation of possible stars associated with the H II region was complemented with an astrometric analysis using the Gaia Early Data Release 3. To study the young stellar objects (YSOs), we consulted the mid-infrared photometric information from WISE, Spitzer−GLIMPSE Surveys, and the MSX point source catalog.

Results. The photometric and astrometric research carried out in the IRAS 14416−5937 region allowed us to improve our current understanding of the DBS 89−90−91 embedded clusters and their interaction with the interstellar medium. In the case of the cluster DBS 89, we identified 9 astrophotometric candidate members and 19 photometric candidate members, whereas for DBS 90−91 clusters we found 18 candidate photometric members. We obtained a distance value for DBS 89 linked to the radio source G316.8−0.1 of 2.9 ± 0.5 kpc. We also investigated 12 Class I YSO candidates, 35 Class II YSO candidates, 2 massive young stellar objects (MYSOs), and 1 compact ionized hydrogen (CHII) region distributed throughout the IRAS 14416−5937 region. Our analysis reveals that the G316.8−0.1 radio source is optically thin at frequencies ≥0.56 GHz. The H II regions G316.8−0.1−A and G316.8−0.1−B have similar radii and ionized hydrogen masses of ∼0.5 pc and ∼35 M⊙, respectively. The ionization parameter computed with the younger spectral types of adopted members of DBS 89 and DBS 90−91 clusters shows that they are able to generate the H II regions. The flux density of the H II region G316.8−0.1−B is lower than the flux density of the H II region G316.8−0.1−A.

Conclusions. We carried out a photometric and astrometric study, looking for members of the DBS 89−90−91 embedded clusters. We were able to identify the earliest stars of the clusters as the main exciting sources of the G316.8−0.1 radio source and have also estimated the main physical parameters of this source. We improve the current knowledge of the stellar components present in the Sagittarius-Carina arm of our Galaxy and its interaction with the interstellar medium.
Optimal stereoscopic angle for 3D reconstruction of synthetic small-scale coronal transients using the CORAR technique
Authors: Lyu Shaoyu , Wang Yuming , Li Xiaolei , Zhang Quanhao
Published: March 2023

Context.In previous studies, we applied the CORrelation-Aided Reconstruction (CORAR) technique to reconstruct three-dimensional (3D) structures of transients in the field of view (FOV) of Heliospheric Imager-1 (HI-1) on board the spacecraft STEREO-A/B. The reconstruction quality depends on the stereoscopic angle (θSun), that is, the angle between the lines connecting the Sun and two spacecraft.

Aims.To apply the CORAR technique on images from the coronagraphs COR-2 on board STEREO, the impact ofθSunon the reconstruction of coronal transients should be explored, and the optimalθSunfor reconstruction should be found.

Methods.We apply the CORAR method on synthetic COR-2 images containing the small-scale transient, namely the blob, in the case of variousθSun. Based on a comparison of the synthetic blob and the corresponding reconstructed structure in location and 3D shape, we assess its level of reconstruction quality. According to the reconstruction-quality levels of blobs in various positions with various attributes, we evaluate the overall performance of reconstruction in the COR-2 FOV to determine the optimalθSunfor reconstruction.

Results.In the case ofθSun >  90°, we find that the range of suitableθSun, in which the small-scale transients in the COR-2 FOV typically have high reconstruction quality, is between 120° and 150°, and the optimalθSunfor reconstruction is close to 135°. In the case ofθSun <  90°, the global reconstruction performance is similar to that of (180° −θSun). We also discuss the spatial factors in determining the range of suitableθSun, and study the influence of blob properties on the reconstruction. Our work can serve as a foundation for the design of future missions containing coronagraphs from multiple perspectives, such as the newly proposed SOlar Ring mission (SOR).
A general basis set algorithm for galactic haloes and discs
Authors: Lilley E. J. , van de Ven G.
Published: March 2023

We present a unified approach to (bi-)orthogonal basis sets for gravitating systems. Central to our discussion is the notion of mutual gravitational energy, which gives rise to a ‘self-energy inner product’ on mass densities. We consider a first-order differential operator that is self-adjoint with respect to this inner product, and prove a general theorem that gives the conditions under which a (bi-)orthogonal basis set arises by repeated application of this differential operator. We then show that these conditions are fulfilled by all the families of analytical basis sets with infinite extent that have been discovered to date. The new theoretical framework turns out to be closely connected to Fourier-Mellin transforms, and it is a powerful tool for constructing general basis sets. We demonstrate this by deriving a basis set for the isochrone model and demonstrating its numerical reliability by reproducing a known result concerning unstable radial modes.
Non-asymptotic analysis of Stochastic approximation algorithms for streaming data
Authors: Godichon-Baggioni Antoine , Werge Nicklas , Wintenberger Olivier
Published: March 2023

We introduce a streaming framework for analyzing stochastic approximation/optimization problems. This streaming framework is analogous to solving optimization problems using time-varying mini-batches that arrive sequentially. We provide non-asymptotic convergence rates of various gradientbased algorithms; this includes the famous Stochastic Gradient (SG) descent (a.k.a. Robbins-Monro algorithm), mini-batch SG and time-varying mini-batch SG algorithms, as well as their iterated averages (a.k.a. Polyak-Ruppert averaging). We show (i) how to accelerate convergence by choosing the learning rate according to the time-varying mini-batches, (ii) that Polyak-Ruppert averaging achieves optimal convergence in terms of attaining the Cramer-Rao lower bound, and (iii) how time-varying mini-batches together with Polyak-Ruppert averaging can provide variance reduction and accelerate convergence simultaneously, which is advantageous for many learning problems, such as online, sequential, and large-scale learning. We further demonstrate these favorable effects for various time-varying minibatches.