bluuebunny/crossref_metadata_2025 huggingface dataset:
Proof of concept for a single-dose Group B Streptococcus vaccine based on capsular polysaccharide conjugated to Qβ virus-like particles
Authors: Carboni Filippo , Cozzi Roberta , Romagnoli Giacomo , Tuscano Giovanna , Balocchi Cristiana , Buffi Giada , Bodini Margherita , Brettoni Cecilia , Giusti Fabiola , Marchi Sara , Brogioni Giulia , Brogioni Barbara , Cinelli Paolo , Cappelli Luigia , Nocciolini Chiara , Senesi Silvia , Facciotti Claudia , Frigimelica Elisabetta , Fabbrini Monica , Stranges Daniela , Savino Silvana , Maione Domenico , Adamo Roberto , Wizel Benjamin , Margarit Immaculada , Romano Maria Rosaria
Published: October 2023

A maternal vaccine to protect neonates against Group B Streptococcus invasive infection is an unmet medical need. Such a vaccine should ideally be offered during the third trimester of pregnancy and induce strong immune responses after a single dose to maximize the time for placental transfer of protective antibodies. A key target antigen is the capsular polysaccharide, an anti-phagocytic virulence factor that elicits protective antibodies when conjugated to carrier proteins. The most prevalent polysaccharide serotypes conjugated to tetanus or diphtheria toxoids have been tested in humans as monovalent and multivalent formulations, showing excellent safety profiles and immunogenicity. However, responses were suboptimal in unprimed individuals after a single shot, the ideal schedule for vaccination during the third trimester of pregnancy. In the present study, we obtained and optimized self-assembling virus-like particles conjugated to Group B Streptococcus capsular polysaccharides. The resulting glyco-nanoparticles elicited strong immune responses in mice already after one immunization, providing pre-clinical proof of concept for a single-dose vaccine.
Ground truth based comparison of saliency maps algorithms
Authors: Szczepankiewicz Karolina , Popowicz Adam , Charkiewicz Kamil , Nałęcz-Charkiewicz Katarzyna , Szczepankiewicz Michał , Lasota Sławomir , Zawistowski Paweł , Radlak Krystian
Published: October 2023

Deep neural networks (DNNs) have achieved outstanding results in domains such as image processing, computer vision, natural language processing and bioinformatics. In recent years, many methods have been proposed that can provide a visual explanation of decision made by such classifiers. Saliency maps are probably the most popular. However, it is still unclear how to properly interpret saliency maps for a given image and which techniques perform most accurately. This paper presents a methodology to practically evaluate the real effectiveness of saliency map generation methods. We used three state-of-the-art network architectures along with specially prepared benchmark datasets, and we proposed a novel metric to provide a quantitative comparison of the methods. The comparison identified the most reliable techniques and the solutions which usually failed in our tests.
Seasonal variations of functional connectivity of human brains
Authors: Xu Lyuan , Choi Soyoung , Zhao Yu , Li Muwei , Rogers Baxter P. , Anderson Adam , Gore John C. , Gao Yurui , Ding Zhaohua
Published: October 2023

Seasonal variations have long been observed in various aspects of human life. While there is an abundance of research that has characterized seasonality effects in, for example, cognition, mood, and behavior, including studies of underlying biophysical mechanisms, direct measurements of seasonal variations of brain functional activities have not gained wide attention. We have quantified seasonal effects on functional connectivity as derived from MRI scans. A cohort of healthy human subjects was divided into four groups based on the seasons of their scanning dates as documented in the image database of the Human Connectome Project. Sinusoidal functions were used as regressors to determine whether there were significant seasonal variations in measures of brain activities. We began with the analysis of seasonal variations of the fractional amplitudes of low frequency fluctuations of regional functional signals, followed by the seasonal variations of functional connectivity in both global- and network-level. Furthermore, relevant environmental factors, including average temperature and daylength, were found to be significantly associated with brain functional activities, which may explain how the observed seasonal fluctuations arise. Finally, topological properties of the brain functional network also showed significant variations across seasons. All the observations accumulated revealed seasonality effects of human brain activities in a resting-state, which may have important practical implications for neuroimaging research.
Effect of polydeoxyribonucleotide on early bone formation in lateral bone augmentation with immediate implant placement: an experimental in vivo study
Authors: Lee Dongseob , Lee Jungwon , Seol Yang-Jo , Lee Yong-Moo , Koo Ki-Tae
Published: October 2023

This study investigated early bone formation using collagenated biphasic calcium phosphate (CBCP) with or without polynucleotide (PDRN). Third (P3) or fourth (P4) premolars of six male beagle dogs were extracted and 5-mm-high dehiscence defects were created, followed by 3D-printed implant placement. The buccal bone defects were grafted with (i) CBCP and collagen membrane or (ii) CBCP soaked in polydeoxyribonucleotide (CBCP/PDRN) and collagen membrane. Samples of the experimental sites were harvested at 2- and 6-weeks post-surgery. The specimens were evaluated with radiologic and histomorphometric analysis. No significant differences were found between the CBCP and CBCP/PDRN groups in the micro-CT analysis at 2 or 6 weeks. No significant differences were observed in bone-to-implant contact (BIC) or bone area fraction occupancy (BAFO) in buccal augmented and lingual non-augmented areas. In the qualitative analysis, the new bone (NB) area and NB proportion in buccal augmented areas showed significantly higher values in the CBCP/PDRN group than in the CBCP group at 2 and 6 weeks. Peri-implant buccal dehiscence defects with immediate 3D-printed implant placement were corrected using a collagen membrane and CBCP or CBCP/PDRN. PDRN might have the potential to facilitate early bone formation with sufficient stability over time in dehiscence defects.
Physics-informed neural network with transfer learning (TL-PINN) based on domain similarity measure for prediction of nuclear reactor transients
Authors: Prantikos Konstantinos , Chatzidakis Stylianos , Tsoukalas Lefteri H. , Heifetz Alexander
Published: October 2023

Nuclear reactor safety and efficiency can be enhanced through the development of accurate and fast methods for prediction of reactor transient (RT) states. Physics informed neural networks (PINNs) leverage deep learning methods to provide an alternative approach to RT modeling. Applications of PINNs in monitoring of RTs for operator support requires near real-time model performance. However, as with all machine learning models, development of a PINN involves time-consuming model training. Here, we show that a transfer learning (TL-PINN) approach achieves significant performance gain, as measured by reduction of the number of iterations for model training. Using point kinetic equations (PKEs) model with six neutron precursor groups, constructed with experimental parameters of the Purdue University Reactor One (PUR-1) research reactor, we generated different RTs with experimentally relevant range of variables. The RTs were characterized using Hausdorff and Fréchet distance. We have demonstrated that pre-training TL-PINN on one RT results in up to two orders of magnitude acceleration in prediction of a different RT. The mean error for conventional PINN and TL-PINN models prediction of neutron densities is smaller than 1%. We have developed a correlation between TL-PINN performance acceleration and similarity measure of RTs, which can be used as a guide for application of TL-PINNs.
Medial open-wedge high tibial osteotomy for the treatment of degenerative varus knee osteoarthritis in geriatric patients: a retrospective study
Authors: Li Jia , Zhao Feng , Dong Wei , Yu Xiaoguang , Zhu Chaohua , Liu Sen , Jia Guoxing , Liu Guobin
Published: October 2023

HTO has proven to be a cost-effective surgical procedure in the treatment of KOA, but few investigations have studied radiological changes and clinical effectiveness of OWHTO in geriatric patients. 76 patients were recruited in this retrospective study. According to the age, patients were divided into two groups (≤ 60, Group “Young”; > 60, Group “Geriatric”). Demographic data, radiological imaging and postoperative complications were analyzed. Kellgren–Lawrence grade (K–L), weight-bearing line ratio (WBLR); posterior tibial slope angle (PTS); American knee score (AKS); Western Ontario and McMaster Universities Arthritis Index (WOMAC) and visual analog scale (VAS) were introduced to estimate the clinical outcome of OWHTO. There were 18 male and 58 female patients in the present study with a mean age of 58.5 ± 9.2 years (ranges from 40 to 82 years); the average age was 51.4 ± 4.1 years and 67.3 ± 4.9 years for group Y and G respectively, 44.7% and 31.5% patients were older than 60 and 65 years. BMI for the 76 patients was 26.6 ± 3.2 kg/m2, and geriatric patients were more likely accompanied by one or more comorbidities (70.6 vs. 45.2%). There were 34 and 42 patients in group Geriatric and group Young respectively, and no significant difference of MPTA, WBLR, PTS and WOMAC, VAS, AKS and ROM between the two group (P > 0.05) were found. After more than a two-year follow-up period, postoperative WBLR, AKS, WOMAC and VAS were much more desired than preoperative, and no significant difference of these variables between the young and geriatric group (P > 0.05), however, elderly patients were more likely to suffer from a longer bone union time. OWHTO can avoid geriatric patients from undergoing secondary knee surgery in the short term, however the survival rate of OWHTO in geriatric patients should be ultimately clarified by different studies.
MALAT1 expression is associated with aggressive behavior in indolent B-cell neoplasms
Authors: Fernández-Garnacho Elena María , Nadeu Ferran , Martín Silvia , Mozas Pablo , Rivero Andrea , Delgado Julio , Giné Eva , López-Guillermo Armando , Duran-Ferrer Martí , Salaverria Itziar , López Cristina , Beà Sílvia , Demajo Santiago , Jares Pedro , Puente Xose S. , Martín-Subero José Ignacio , Campo Elías , Hernández Lluís
Published: October 2023

MALAT1 long non-coding RNA has oncogenic roles but has been poorly studied in indolent B-cell neoplasms. Here, MALAT1 expression was analyzed using RNA-seq, microarrays or qRT-PCR in primary samples from clinico-biological subtypes of chronic lymphocytic leukemia (CLL, n = 266), paired Richter transformation (RT, n = 6) and follicular lymphoma (FL, n = 61). In peripheral blood (PB) CLL samples, high MALAT1 expression was associated with a significantly shorter time to treatment independently from other known prognostic factors. Coding genes expressed in association with MALAT1 in CLL were predominantly related to oncogenic pathways stimulated in the lymph node (LN) microenvironment. In RT paired samples, MALAT1 levels were lower, concordant with their acquired increased independency of external signals. Moreover, MALAT1 levels in paired PB/LN CLLs were similar, suggesting that the prognostic value of MALAT1 expression in PB is mirroring expression differences already present in LN. Similarly, high MALAT1 expression in FL predicted for a shorter progression-free survival, in association with expression pathways promoting FL pathogenesis. In summary, MALAT1 expression is related to pathophysiology and more aggressive clinical behavior of indolent B-cell neoplasms. Particularly in CLL, its levels could be a surrogate marker of the microenvironment stimulation and may contribute to refine the clinical management of these patients.
UBE2C serves as a prognosis biomarker of uterine corpus endometrial carcinoma via promoting tumor migration and invasion
Authors: Ma Sijia , Chen Qian , Li Xu , Fu Jing , Zhao Le
Published: October 2023

The biological functions of ubiquitin-conjugating enzymes E2 (UBE2) family members in uterine corpus endometrial carcinoma (UCEC) remains unclear. Our study aimed to systematically analyze the expression patterns, prognostic value, biological functions and molecular regulatory mechanisms of UBE2 family in UCEC. Among nine screened UBE2 family members associated with UCEC, UBE2C was the most significantly overexpressed gene with poor prognosis. High expression levels of UBE2C in UCEC was correlated with stages, histological subtypes, patient’s menopause status and TP53 mutation. Three molecules (CDC20, PTTG1 and AURKA), were identified as the key co-expression proteins of UBE2C. The generic alterations (mutation, amplification) and DNA hypomethylation might contribute to UBE2C’s high expression in UCEC. Furthermore, in vitro experiments showed that the interference of UBE2C inhibited the migration and invasion of endometrial cancer cells, while partially impact cell proliferation and didn’t impact the expression of epithelial-mesenchymal transition (EMT) markers. Using comprehensive bioinformatics analysis and in vitro experiments, our study provided a novel insight into the oncogenic role of UBE2 family, specifically UBE2C in UCEC. UBE2C might serve as an effective biomarker to predict poor prognosis and a potential therapeutic target in clinical practice.
GM1a ganglioside-binding domain peptide inhibits host adhesion and inflammatory response of enterotoxigenic Escherichia coli heat-labile enterotoxin-B in HCT-8 cells
Authors: Park Jun-Young , Abekura Fukushi , Cho Seung-Hak
Published: October 2023

Enterotoxigenic Escherichia coli (ETEC) is a major cause of illness and death but has no effective therapy. The heat-labile enterotoxin LT is a significant virulence factor produced by ETEC. The heat-labile enterotoxin-B (LT-B) subunit may enter host cells by binding to monosialotetrahexosylganglioside-a (GM1a), a monosialoganglioside found on the plasma membrane surface of animal epithelial cells. This research was conducted to develop conformationally comparable peptides to the carbohydrate epitope of GM1a for the treatment of ETEC. We used the LT-B subunit to select LT-B-binding peptides that structurally resemble GM1a. The ganglioside microarray and docking simulations were used to identify three GM1a ganglioside-binding domain (GBD) peptides based on LT-B recognition. Peptides had an inhibiting effect on the binding of LT-B to GM1a. The binding capacity, functional inhibitory activity, and in vitro effects of the GBD peptides were evaluated using HCT-8 cells, a human intestinal epithelial cell line, to evaluate the feasibility of deploying GBD peptides to combat bacterial infections. KILSYTESMAGKREMVIIT was the most efficient peptide in inhibiting cellular absorption of LT-B in cells. Our findings offer compelling evidence that GM1a GBD-like peptides might act as new therapeutics to inhibit LT-B binding to epithelial cells and avoid the subsequent physiological consequences of LT.
The impact of a skipped-generation family structure on early child development in Khon Kaen Province: a prospective cohort study
Authors: Photichai Piyanan , Luvira Varisara
Published: October 2023

Parenting in early childhood is related to child development. This study aimed to investigate the impact of a skipped-generation family structure on early child development. This prospective cohort study collected data on children aged 6 to 18 months from 132 non-skipped-generation families and 115 skipped-generation families from primary care units in Khon Kaen province for 1 year. The data were collected using a structured questionnaire administered through face-to-face interviews, as well as the Denver II instrument for assessing child development. Using multivariate logistic regression, the impact of a skipped-generation family structure on infant development was analysed, and adjusted relative risks (aRRs) are presented. We found that 19.83% (49/247) of the children had suspected delayed development in all domains. Most of these children resided in skipped-generation families, accounting for 27.82% of the sample (32/115). After adjusting for other factors, it was found that male children from skipped-generation families had a higher risk of suspected delayed language development (aRR = 14.56, 95% CI = 1.34 to 158.34, p = 0.028). In conclusion, the parental practices of skipped-generation families are suspected of causing delayed language development in boys. Models of early childhood development should be established for skipped-generation families.
Mendelian randomization and colocalization analyses reveal an association between short sleep duration or morning chronotype and altered leukocyte telomere length
Authors: Hu Jingyi , Lu Jiawen , Lu Qiuhan , Weng Weipin , Guan Zixuan , Wang Zhenqian
Published: October 2023

Observational studies suggest certain sleep traits are associated with telomere length, but the causal nature of these associations is unclear. The study aimed to determine the causal associations between 11 sleep-related traits and leukocyte telomere length (LTL) through two-sample Mendelian randomization and colocalization analyses using the summary statistics from large-scale genome-wide association studies. Univariable Mendelian randomization indicates that genetically determined short sleep is associated with decreased LTL, while morning chronotype is associated with increased LTL. Multivariable Mendelian randomization further supports the findings and colocalization analysis identifies shared common genetic variants for these two associations. No genetic evidence is observed for associations between other sleep-related traits and LTL. Sensitivity MR methods, reverse MR and re-running MR after removing potential pleiotropic genetic variants enhance the robustness of the results. These findings indicate that prioritizing morning chronotype and avoiding short sleep is beneficial for attenuating telomere attrition. Consequently, addressing sleep duration and chronotype could serve as practical intervention strategies.
Corporate motivations and co-benefit valuation in private climate finance investments through voluntary carbon markets
Authors: Lou Jiehong , Hultman Nathan , Patwardhan Anand , Mintzer Irving
Published: October 2023

Companies can prioritize diverse types of sustainable investment finance to reflect their concerns about climate change and carbon emissions. One such investment avenue is voluntary carbon offset (VCO) projects, in which companies invest to offset their carbon footprint. However, despite growing research into what and how these companies are doing in VCO markets, much remains to be learned about the motivations for such investments. In this paper, we utilized two datasets with a natural linkage to conduct a mixed-method analysis for a group of 186 companies globally with 534 carbon offset projects in 2017. This allowed us to assess motivations that drive companies to invest in the offset projects, and how different motivations map on to specific purchase decisions which then channel into larger financial flows. We identified three corporate motivations for carbon offset investment and found that companies using carbon offsets to achieve carbon neutrality has been coupled with some companies highlighting the importance of using offsets to contribute to “company values” and “market competitiveness.” Our study uncovered two contrasting trends in offset investment. Companies driven by values and market competitiveness demonstrated a willingness to invest in high-cost projects that provide significant local co-benefits. On the other hand, companies motivated by carbon management and efficiency showed a preference for lower-cost projects, particularly those related to renewable energy.
Di-berberine conjugates as chemical probes of Pseudomonas aeruginosa MexXY-OprM efflux function and inhibition
Authors: Kavanaugh Logan G. , Mahoney Andrew R. , Dey Debayan , Wuest William M. , Conn Graeme L.
Published: October 2023

The Resistance-Nodulation-Division (RND) efflux pump superfamily is pervasive among Gram-negative pathogens and contributes extensively to clinical antibiotic resistance. The opportunistic pathogen Pseudomonas aeruginosa contains 12 RND-type efflux systems, with four contributing to resistance including MexXY-OprM which is uniquely able to export aminoglycosides. At the site of initial substrate recognition, small molecule probes of the inner membrane transporter (e.g., MexY) have potential as important functional tools to understand substrate selectivity and a foundation for developing adjuvant efflux pump inhibitors (EPIs). Here, we optimized the scaffold of berberine, a known but weak MexY EPI, using an in-silico high-throughput screen to identify di-berberine conjugates with enhanced synergistic action with aminoglycosides. Further, docking and molecular dynamics simulations of di-berberine conjugates reveal unique contact residues and thus sensitivities of MexY from distinct P. aeruginosa strains. This work thereby reveals di-berberine conjugates to be useful probes of MexY transporter function and potential leads for EPI development.
MALDI-TOF Mass Fingerprinting for Rapid Identification of Bacteria: Experimental Procedures
Authors: Zhu Yingdi , Girault Hubert H.
Published: October 2023

In this chapter, scientific and instrumental fundamentals related to the generation of bacterial MALDI-TOF mass fingerprints were briefly described. For bacterial identification by MALDI-TOF mass fingerprinting, experimental procedures for patient sampling, the culture and isolation of bacterial cells from patient samples, the preparation of bacterial cells and MALDI matrices, and the deposition of bacteria and matrices on MALDI target plates, as well as the setting of instrumental parameters, were given in detail.
Rapid Detection and Evolution of SARS-CoV2 and Other Viruses with High Resolution Mass Spectrometry
Authors: Downard Kevin M.
Published: October 2023

The development and application of mass spectrometry (MS) approaches to detect, characterize and distinguish variants of the SARS-CoV2 virus and types/subtypes of other respiratory viruses (influenza and parainfluenza viruses) are described. The benefits of MS approaches over PCR-based methods are presented together with the advantages of high mass resolution, high mass accuracy strategies and MS instrumentation. Recent and new developments, reported for the first time in this chapter, include the measured detection limits for identification of SARS-CoV2 virus variants in clinical specimens, their evolutionary trajectories using peptide mass map data and the use of numerical mass-based trees to interrogate mechanisms associated with epistasis and the role of compensatory mutations that promote antiviral resistance and restore viral fitness during virus evolution.
Mass Spectrometry-based Proteomics of Eukaryotes
Authors: Geddes-McAlister Jennifer , Rizakos Tia , Muselius Benjamin
Published: October 2023

Eukaryotes are diverse and expansive, encompassing many forms of natural life, including animals, plants, and fungi. To explore these complex biological systems and better understand mechanisms regulating health and disease, advanced technological approaches are needed. Mass spectrometry (MS)-based proteomics combined with sophisticated bioinformatics tools can provide new mechanistic insight into these biological systems and regulation of diverse processes. In this chapter, we provide an overview of common MS-based proteomics tools used for discovery-centric investigations and focus on proteomics platforms applied for disease diagnostic and prognostic purposes, emphasizing the relationship between the immune system of the host and fungal pathogens.
Identification of Microorganisms by Mass Spectrometry in Clinical Microbiology Laboratories
Authors: Qin Qin , Liu Yun , Wan Yuxiang , Qin Haifeng
Published: October 2023

MALDI-TOF MS is a rapid microbial diagnosis method developed based on MS technology, which has been widely used in clinical microbiology laboratories around the world, due to its accurate and efficient performance in microbial identification. This chapter introduces the specific applications of MALDI-TOF MS in clinical laboratories, including strain identification, antibiotic resistance mechanism tests, bacterial strain typing, and virulence marker detection. Besides, the current situation and development trends of this technique are analyzed and its application prospects are discussed.
Single crystal formation in core–shell capsules
Authors: Mettler Marie , Dewandre Adrien , Tumanov Nikolay , Wouters Johan , Septavaux Jean
Published: October 2023

We introduce a new approach to the generation of single crystals by inducing slow nucleation within core–shell solid microcapsules.
Electron affinities and lowest triplet and singlet state properties of para-oligophenylenes (n = 3–5): theory and experiment
Authors: Schulz Timo , Konieczny Paul , Dombrowski Dennis R. , Metz Simon , Marian Christel M. , Weinkauf Rainer
Published: October 2023

We apply photodetachment–photoelectron spectroscopy and quantum chemistry to determine the electron affinities and the energetics of the lowest excited electronic states of para-oligophenylenes, including especially the triplet states below S1.
Carbon-supported T-Nb2O5 nanospheres and MoS2 composites with a mosaic structure for insertion–conversion anode materials
Authors: Li Shaohao , Pan Caifeng , Zhao Zhaohui , Yang Wei , Zou Hanbo , Chen Shengzhou
Published: October 2023

In this paper, we load carbon into MoS2 with T-Nb2O5 nanospheres using hydrothermal synthesis, add polydopamine carbon and heat treat. This accelerates charge transfer and reduces volume expansion for excellent T-Nb2O5@MoS2@C electrode performance.
Synthesis and reactivity of Pd(ii) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd–C bonds of orthopalladated precursors
Authors: Franc Michal , Vosáhlo Petr , Schulz Jiří , Císařová Ivana , Štěpnička Petr
Published: October 2023

Insertion of isocyanoferrocene into Pd–C bonds of Pd(ii) complexes with cyclometallated ligands produced imidoyl complexes, which were converted into aminocarbene complexes. The imidoyl-to-carbene transformation changed the structure only marginally.
Positioning hydrogen reaction sites by constructing CdS/CoNiMoS4 heterojunctions for efficient photocatalytic hydrogen evolution
Authors: Varma Pooja , Chava Rama Krishna , Liu Chunli , Kim Tae Kyu , Amaranatha Reddy D.
Published: October 2023

Design of a robust photocatalyst (CdS/CoNiMoS4) for highly efficient solar-driven hydrogen evolution.
X/Y platinum(ii) complexes: some features of supramolecular assembly via halogen bonding
Authors: Gitlina Anastasia Yu. , Petrovskii Stanislav , Luginin Maksim , Melnikov Alexey , Rychagova Elena , Ketkov Sergey , Grachova Elena
Published: October 2023

X/Y complexes [Pt(C^N)(IPy)Y] (IPy = 4-iodopyridine, Y = Cl, Br, I) demonstrate non-covalent ππ, X⋯Y, X⋯Pt and X⋯π interactions in the crystal state with the formation of a supramolecular network.
Algal organic matter as a disinfection by-product precursor during chlor(am)ination: a critical review
Authors: Leite Luan de Souza , Daniel Luiz Antonio , Bond Tom
Published: October 2023

Algal organic matter (AOM) is a major precursor of disinfection by-products (DBPs) during disinfection.
Graphene oxide nanosheets augment silk fibroin aerogels for enhanced water stability and oil adsorption
Authors: Machnicki Catherine E. , DuBois Eric M. , Fay Meg , Shrestha Snehi , Saleeba Zachary S. S. L. , Hruska Alex M. , Ahmed Zahra , Srivastava Vikas , Chen Po-Yen , Wong Ian Y.
Published: October 2023

Enhanced intermolecular interactions between silk and graphene oxide nanosheets stabilize nanocomposite aerogels for enhanced water stability and hydrophobic properties, enabing rapid oil adsorption.
A mixed-dimensional quasi-1D BiSeI nanowire-2D GaSe nanosheet p–n heterojunction for fast response optoelectronic devices
Authors: Hu Huijie , Zhen Weili , Yue Zhilai , Niu Rui , Xu Feng , Zhu Wanli , Jiao Keke , Long Mingsheng , Xi Chuanying , Zhu Wenka , Zhang Changjin
Published: October 2023

Optimized design and fast response speed.
Excitons in metal halide perovskite nanoplatelets: an effective mass description of polaronic, dielectric and quantum confinement effects
Authors: Movilla Jose L. , Planelles Josep , Climente Juan I.
Published: October 2023

An effective mass model for excitons confined in metal halide perovskite nanoplatelets is presented. Dielectric screening is weakened by the quasi-2D confinement, as the exciton radius becomes comparable to the polaron one.
Bioisosteric-replacement-driven optimization of 4-methoxynaphthalene-N-acylhydrazones with anti-Paracoccidioides activity
Authors: Oliveira Amanda Alves de , Silva Lívia do Carmo , Rozada Andrew Matheus Frederico , Costa Vinícius Alexandre Fiaia , Soares Célia Maria de Almeida , Seixas Flavio Augusto Vicente , Neves Bruno Junior , Gauze Gisele Freitas , Pereira Maristela
Published: October 2023

Overall workflow employed in this work.
Superparamagnetic iron oxide nanoparticle-loaded nanodroplets for dual-modal ultrasound/magnetic resonance imaging-guided drug delivery
Authors: Samani Roghayeh Kamran , Maghsoudinia Fatemeh , Asgari Mahdi , Atarod Maryam , Mehrgardi Masoud A. , Tavakoli Mohamad Bagher
Published: October 2023

Folic acid-targeted SPIONs/MTX nanodroplets for dual-modal ultrasound/MRI-guided drug delivery were synthesized. SPIONs operate as MRI contrast agents and nucleation sites that enhance drug release.
Microwave-assisted synthesis of green fluorescent copper nanoclusters: a novel approach for sensing of hydroxyl radicals and pyrophosphate ions via a “turn-off–on” mechanism
Authors: Harshita  , Park Tae Jung , Kailasa Suresh Kumar
Published: October 2023

A simple analytical approach was developed for the detection of ˙OH and pyrophosphate ion via fluorescence “turn-off-on” mechanism using green light-emitting coffee-trypsin-CuNCs as a nanosensor.
Room-temperature electric field control of spin filtering efficiency for enhanced modulation of optical spin polarization in a defect-functional 0D–2D hybrid nanostructure
Authors: Park Soyoung , Hiura Satoshi , Kise Hiroto , Takayama Junichi , Sueoka Kazuhisa , Murayama Akihiro
Published: October 2023

We demonstrate an electric field control of optical spin polarization of InAs quantum dots in the range of 15–40% at room temperature. This accomplishment is achieved by tuning the spin amplification degree of dilute nitride GaNAs quantum well.
Visible-light induced C(sp3)–H arylation of glycine derivatives by cerium catalysis
Authors: Wang Shutao , Ye Yanjie , Shen Hailong , Liu Jiyu , Liu Zhao , Jiang Zhigen , Lei Junqiang , Zhang Yuan
Published: October 2023

A Ce(iii)-catalyzed, visible-light induced aerobic oxidative cross-dehydrogenative coupling reaction between glycine derivatives and electron-rich arenes is achieved without any external photosensitizer and additive.
Iodine(iii)-catalyzed dehydrogenative cycloisomerization–arylation sequence of 2-propargyl 1,3-dicarbonyl compounds
Authors: Umakoshi Yuki , Wakisaka Kazushige , Tsubouchi Akira , Yoshimura Akira , Saito Akio
Published: October 2023

Sulfinyl fluoride mediates the iodine(iii)-catalyzed cycloisomerization–arylation of 2-propargyl 1,3-dicarbonyl compounds as a real oxidant.
Binding characteristics of pyrrole-scaffold hepatitis B virus capsid inhibitors and identification of novel potent compounds
Authors: Ruengsatra Tanachote , Meeprasert Arthitaya , Rattanangkool Eakkaphon , Deesiri Sirikan , Srisa Jakkrit , Udomnilobol Udomsak , Dunkoksung Wilasinee , Chuaypen Natthaya , Kiatbumrung Rattanaporn , Tangkijvanich Pisit , Vimolmangkang Sornkanok , Pudhom Khanitha , Prueksaritanont Thomayant
Published: October 2023

Using computational approaches to analyze the binding characteristics of pyrrole-scaffold inhibitors, leading to the discovery of a novel structural series and the identification of a promising lead compound.
Self-assembling CuS anodes with conversion reaction for ultrafast Na-ion storage
Authors: Kim Sung Yeob , Ahn Hee-Jae , Kim Young-Hoon , Kim Hong-Kyu , Lee Byeong-Hyeon , Byeon Young-Woon , Park Jae-Ho , Chung Kyung Yoon , Lee Jae-Chul
Published: October 2023

The CuS anode enables spontaneous transformation into a porous nanostructure and the formation of conductive Cu nanoparticles. These features of the CuS conversion anode for Na-ion batteries exhibit remarkable electrochemical performance.
Boron carbon nitride (BCN): an emerging two-dimensional nanomaterial for supercapacitors
Authors: Thomas Susmi Anna , Cherusseri Jayesh
Published: October 2023

This review describes the recent developments on the synthesis methods and properties of boron carbon nitride (BCN). The supercapacitor electrode preparation and testing of BCN and BCN-based hybrids/heterostructures/nanocomposites are also included.
Emerging the real‐time performance for the single axis slave controller in the decentralised network
Authors: Bui The Tri , Ngo Ha Quang Thinh
Published: October 2023

In the era of the fourth industrial revolution, many certain technologies such as Internet of Things (IoT) or Internet of Service (IoS) have been implemented for the improvement of current system. However, most of them did not ensure the real‐time performance which is inevitable for modern motion systems. The implementation of Ethernet‐based protocol, rapid data exchange and synchronised transmission are proper for the novelties of slave controller. An integration of the decentralised network into the motion control system is introduced firstly. To demonstrate the conceptual design, some descriptions of motivations and related definitions are explained. Then, the structure of hardware components and internal connections are mentioned. Later, the software architecture including the data exchange and flowchart of motion program, is described in detail. To verify the feasibility and effectiveness of the proposed approach, some technical analysis of timing synchronisation and tracking deviation between our method and the others are carried out. In addition, several practical validations are conducted in the same conditions. The contributions of the authors are (i) to firstly present the concept of controller design using the real‐time technology, (ii) to illuminate both hardware design and software design of the proposed approach and (iii) to analyse the superior performance in delay time between our method and the others as well as validate the real‐world results to prove the effectiveness and feasibility. From the authors’ achievement, it is observed that these results can be broadly purposeful to the sustainable development of Industry 4.0.
The birth and early evolution of a low-mass protostar
Authors: Ahmad A. , González M. , Hennebelle P. , Commerçon B.
Published: October 2023

Context. Understanding the collapse of dense molecular cloud cores to stellar densities and the subsequent evolution of the protostar is of importance to model the feedback effects such an object has on its surrounding environment, as well as describing the conditions with which it enters the stellar evolutionary track. This process is fundamentally multi-scale, both in density and in spatial extent, and requires the inclusion of complex physical processes such as self-gravity, turbulence, radiative transfer, and magnetic fields. As such, it necessitates the use of robust numerical simulations.

Aims. We aim to model the birth and early evolution of a low-mass protostar. We also seek to describe the interior structure of the protostar and the radiative behavior of its accretion shock front.

Methods. We carried out a high resolution numerical simulation of the collapse of a gravitationally unstable 1 M⊙ dense molecular cloud core to stellar densities using 3D radiation hydrodynamics under the gray flux-limited diffusion approximation. We followed the initial isothermal phase, the first adiabatic contraction, the second gravitational collapse triggered by the dissociation of H2 molecules, and ≈247 days of the subsequent main accretion phase.

Results. We find that the subcritical radiative behavior of the protostar’s shock front causes it to swell as it accretes matter. We also find that the protostar is turbulent from the moment of its inception despite its radiative stability. This turbulence causes significant entropy mixing inside the protostar, which regulates the swelling. Furthermore, we find that the protostar is not fully ionized at birth, but the relative amount of ionized material within it increases as it accretes matter from its surroundings. Finally, we report in the appendix the results of the first 3D calculations involving a frequency-dependent treatment of radiative transfer, which has not produced any major differences with its gray counterpart.
Correlations between laboratory line lists for FeH, CrH, and NiH and M-star spectra collected with ESPaDOnS and SPIRou
Authors: Crozet P. , Morin J. , Ross A. J. , Bellotti S. , Donati J.-F. , Fouqué P. , Moutou C. , Petit P. , Carmona A. , Kóspál A. , Adam A. G. , Tokaryk D. W.
Published: October 2023

Context. Molecular bands of metal oxides and hydrides dominate the optical and near-infrared spectra of M dwarfs. High-resolution spectra of these bands have immense potential for determining many properties of these stars, such as effective temperature, surface gravity, elemental abundances, radial velocity, or surface magnetic fields. Techniques are being developed to do this but remain limited by the current availability and accuracy of molecular data and spectral line lists.

Aims. This paper reports metal monohydride line lists selected from near-infrared and visible laboratory data to show that specific bands in several electronic transitions can be used to identify CrH, NiH, and FeH in M stars and to determine radial velocities from Doppler shifts. The possibility of measuring magnetic fields is also investigated for FeH and CrH.

Methods. We used systematic cross-correlation analysis between unpolarised spectra from a selection of M stars and state-specific laboratory line lists. These lists were generated from a combination of existing data and new laboratory laser-excitation spectra recorded at Doppler-limited resolution, in zero-field conditions or in magnetic fields up to 0.6 tesla.

Results. We show that transitions at visible wavelengths in FeH and NiH, usually neglected in the analysis of the spectra of M-type stars, do in fact contribute to the spectra, and we demonstrate the influence of magnetic sensitivity on selected transitions in CrH and FeH.

Conclusions. Although the new line lists focus on transitions recorded at temperatures significantly lower than those of stellar objects, they remain pertinent because they cover some band-head regions of high spectral density. FeH bands can provide a useful supplement to atomic lines for the analysis of high-resolution optical and near-infrared spectra of M dwarfs. We demonstrate the influence of a magnetic field on CrH signatures around 862 nm.
A JWST inventory of protoplanetary disk ices
Authors: Sturm J. A. , McClure M. K. , Beck T. L. , Harsono D. , Bergner J. B. , Dartois E. , Boogert A. C. A. , Chiar J. E. , Cordiner M. A. , Drozdovskaya M. N. , Ioppolo S. , Law C. J. , Linnartz H. , Lis D. C. , Melnick G. J. , McGuire B. A. , Noble J. A. , Öberg K. I. , Palumbo M. E. , Pendleton Y. J. , Perotti G. , Pontoppidan K. M. , Qasim D. , Rocha W. R. M. , Terada H. , Urso R. G. , van Dishoeck E. F.
Published: October 2023

Ices are the main carriers of volatiles in protoplanetary disks and are crucial to our understanding of the protoplanetary disk chemistry that ultimately sets the organic composition of planets. The Director’s Discretionary-Early Release Science (DD-ERS) program Ice Age on the James Webb Space Telescope (JWST) follows the ice evolution through all stages of star and planet formation. JWST’s exquisite sensitivity and angular resolution uniquely enable detailed and spatially resolved inventories of ices in protoplanetary disks. JWST/NIRSpec observations of the edge-on Class II protoplanetary disk HH 48 NE reveal spatially resolved absorption features of the major ice components H2O, CO2, and CO, and multiple weaker signatures from less abundant ices NH3, OCN−, and OCS. Isotopologue 13CO2 ice has been detected for the first time in a protoplanetary disk. Since multiple complex light paths contribute to the observed flux, the ice absorption features are filled in by ice-free scattered light. This implies that observed optical depths should be interpreted as lower limits to the total ice column in the disk and that abundance ratios cannot be determined directly from the spectrum. The 12CO2/13CO2 integrated absorption ratio of 14 implies that the 12CO2 feature is saturated, without the flux approaching zero, indicative of a very high CO2 column density on the line of sight, and a corresponding abundance with respect to hydrogen that is higher than interstellar medium values by a factor of at least a few. Observations of rare isotopologues are crucial, as we show that the 13CO2 observation allowed us to determine the column density of CO2 to be at least 1.6 × 1018 cm−2, which is more than an order of magnitude higher than the lower limit directly inferred from the observed optical depth. Spatial variations in the depth of the strong ice features are smaller than a factor of two. Radial variations in ice abundance, for example snowlines, are significantly modified since all observed photons have passed through the full radial extent of the disk. CO ice is observed at perplexing heights in the disk, extending to the top of the CO-emitting gas layer. Although poorly understood radiative transfer effects could contribute to this, we argue that the most likely interpretation is that we observed some CO ice at high temperatures, trapped in less volatile ices such as H2O and CO2. Future radiative transfer models will be required to constrain the physical origin of the ice absorption and the implications of these observations for our current understanding of disk physics and chemistry.
Development of Pulse Charger for Electric Vehicle Batteries
Authors: Jugge Praveen , Awaar Vinay Kumar , Ramineni Vyshnavi , Mahawin Saniya , Memoria Minakshi , Srinivas D.
Published: October 2023

The issue of slow charging and early battery life deterioration affects emerging new battery technologies. This study suggests a quick pulse charging technique that guards against battery deterioration and provides sustainable operation. The research primarily focuses on newly developed batteries charged from a solar source utilizing a pulsed approach. ANSYS or MATLAB/Simulink are used for the different simulations. The charger circuit comprises the Photovoltaic panel, transformer, a passive element like a capacitor, voltage regulator, and bridge rectifier. An optocoupler, an isolation circuit, and a DSP controller comprise the control circuit. The charger circuit receives power directly from the solar panel, and the duty ratio is configured in the Arduino software, which controls the output voltage.
Performance Comparison of ML Algorithms for Sustainable Smart Health Systems
Authors: Sujatha C.N. , Swaraja K. , Bharath Kumar C. , Sai Roshit K. , Sucheet T. , Sharma Sandeep , Narsaiah M.N.
Published: October 2023

Disease prognosis holds immense significance in healthcare due to its potential to greatly improve patient outcomes through early and precise diagnosis. Machine learning (ML) algorithms provide a robust avenue for disease prediction, employing patient data analysis to detect intricate patterns of specific ailments. Machine learning algorithms adeptly handle intricate and extensive datasets, uncovering latent patterns often eluding human observation. By considering diverse symptoms and their permutations, ML models yield precise forecasts concerning the probability of distinct diseases. The investigation begins by laying a basis in sustainable development concepts, recognising the need of resource optimisation, energy efficiency, and minimal environmental effect in the context of healthcare technology. Categorically, disease prediction methodologies fall under supervised and unsupervised learning categories, involving training algorithms on annotated datasets containing symptoms and corresponding diagnoses. These trained models can then anticipate diseases based on novel symptom profiles.
Design of a combined horizontal and U slot patch antenna with reduced cross-polarization and increased sustainability
Authors: Lakshmi Tulasi Edara Bhavya , Guhambika Naga Aishwarya T. , Manisha Kumari , Pandey S.D. , Saida A.
Published: October 2023

This paper presents a rectangular microstrip patch antenna designed to operate at a frequency of 2.6348 GHz. The antenna is equipped with a U-slot and horizontal slot to mitigate cross-polarization effectively. By strategically placing the U-slot on the radiating patch and incorporating a horizontal slot on the patch, the antenna achieves enhanced radiation characteristics. It demonstrates excellent impedance matching with a VSWR of 1.02, indicating minimal signal reflection (S11 of -27.47dB) and improved transmission efficiency with a gain of 7.11dBi. The proposed design offers reduced cross-polarization characteristics and increased sustainability with compact size, making it suitable for WLAN applications prioritizing reliable and efficient communication.
An Information System on Fetal Health Classification based on CNN and Hybrid - CNN with Dimensionality Reduction
Authors: Arun K. , Phaneesh Sai , Prakash Reddy Surya , Sreeman Sai , Ghildiyal Yamini
Published: October 2023

Cardiotocography (CTG) is a method of monitoring fetal heart rate and uterine contractions during pregnancy. CTG is a methodology used to measure the fetal well-being in a pregnant woman. The objective of the paper is to reduce the fetal mortality. Data is being evaluated by applying pre-processing techniques, followed by Convolutional Neural Network (CNN) and dimensionality reduction using Principal Component Analysis (PCA). The approach adopted in the proposed method for detecting the fetal heart rate is evaluated using two methods, namely, conventional CNN and conventional CNN integrated with PCA. Using CNN algorithm around 77% has been achieved and CNN integrated with .PCA gave around 95% accuracy.
Automated Music Genre Classification through Deep Learning Techniques
Authors: Kiran Kumar Mamidi , Sujanasri K. , Neha B. , Akshara G. , Chugh Pinki , Haindavi P.
Published: October 2023

Music Genre Classification (MGC) automatically categorizes music into different genres based on various musical attributes and features in a small number of music files. This is a crucial problem in the field of music information retrieval as it provides a way to organize and analyse large amounts of music files. MGC can be performed using conventional machine learning algorithms such as SVM, k-nearest neighbours, Decision trees, and neural networks. These algorithms learn to recognize different musical features and attributes to categorize the music files into different genres. The literature shows that the performance of conventional machine learning algorithms is inferior to deep learning algorithms such as CNN, RNN, etc., in various applications. Hence, the CNN algorithm is adapted to implement the classification of music files. This aims to classify music genres using CNN deep learning techniques. The performance of the algorithms for MGC can be evaluated using metrics such as accuracy, precision, recall, and F1-score. Additionally, the impact of different features and algorithms on the performance of MGC can be studied and compared. It has applications in areas such as automated music recommendation systems, music education, and music production. An accuracy of 83% is achieved by using CNN to accomplish the task of MGC.