bluuebunny/crossref_metadata_2025 huggingface dataset:
Higher intraocular pressure is associated with slower axial growth in children with non-pathological high myopia
Authors: Yii Fabian SL , He Mingguang , Chappell Francesca , Bernabeu Miguel O. , MacGillivray Tom , Dhillon Baljean , Tatham Andrew , Strang Niall
Published: December 2023

Objectives

To investigate the association between intraocular pressure (IOP) and axial elongation rate in highly myopic children from the ZOC-BHVI High Myopia Cohort Study.

Methods

162 eyes of 81 healthy children (baseline spherical equivalent: −6.25 D to −15.50 D) aged 7–12 years with non-pathological high myopia were studied over five biennial visits. The mean (SD) follow-up duration was 5.2 (3.3) years. A linear mixed-effects model (LMM) was used to assess the association between IOP (at time point t−1) and axial elongation rate (annual rate of change in AL from t−1 to t), controlling for a pre-defined set of covariates including sex, age, central corneal thickness, anterior chamber depth and lens thickness (at t−1). LMM was also used to assess the contemporaneous association between IOP and axial length (AL) at t, controlling for the same set of covariates (at t) as before.

Results

Higher IOP was associated with slower axial growth (β = −0.01, 95% CI −0.02 to −0.005, p = 0.001). There was a positive contemporaneous association between IOP and AL (β = 0.03, 95% CI 0.01–0.05, p = 0.004), but this association became progressively less positive with increasing age, as indicated by a negative interaction effect between IOP and age on AL (β = −0.01, 95% CI −0.01 to −0.003, p = 0.001).

Conclusions

Higher IOP is associated with slower rather than faster axial growth in children with non-pathological high myopia, an association plausibly confounded by the increased influence of ocular compliance on IOP.
Seismic arrival-time picking on distributed acoustic sensing data using semi-supervised learning
Authors: Zhu Weiqiang , Biondi Ettore , Li Jiaxuan , Yin Jiuxun , Ross Zachary E. , Zhan Zhongwen
Published: December 2023

Distributed Acoustic Sensing (DAS) is an emerging technology for earthquake monitoring and subsurface imaging. However, its distinct characteristics, such as unknown ground coupling and high noise level, pose challenges to signal processing. Existing machine learning models optimized for conventional seismic data struggle with DAS data due to its ultra-dense spatial sampling and limited manual labels. We introduce a semi-supervised learning approach to address the phase-picking task of DAS data. We use the pre-trained PhaseNet model to generate noisy labels of P/S arrivals in DAS data and apply the Gaussian mixture model phase association (GaMMA) method to refine these noisy labels and build training datasets. We develop PhaseNet-DAS, a deep learning model designed to process 2D spatio-temporal DAS data to achieve accurate phase picking and efficient earthquake detection. Our study demonstrates a method to develop deep learning models for DAS data, unlocking the potential of integrating DAS in enhancing earthquake monitoring.
Conformational plasticity of RAS Q61 family of neoepitopes results in distinct features for targeted recognition
Authors: McShan Andrew C. , Flores-Solis David , Sun Yi , Garfinkle Samuel E. , Toor Jugmohit S. , Young Michael C. , Sgourakis Nikolaos G.
Published: December 2023

The conformational landscapes of peptide/human leucocyte antigen (pHLA) protein complexes encompassing tumor neoantigens provide a rationale for target selection towards autologous T cell, vaccine, and antibody-based therapeutic modalities. Here, using complementary biophysical and computational methods, we characterize recurrent RAS55-64Q61 neoepitopes presented by the common HLA-A*01:01 allotype. We integrate sparse NMR restraints with Rosetta docking to determine the solution structure of NRASQ61K/HLA-A*01:01, which enables modeling of other common RAS55-64neoepitopes. Hydrogen/deuterium exchange mass spectrometry experiments alongside molecular dynamics simulations reveal differences in solvent accessibility and conformational plasticity across a panel of common Q61 neoepitopes that are relevant for recognition by immunoreceptors. Finally, we predict binding and provide structural models of NRASQ61Kantigens spanning the entire HLA allelic landscape, together with in vitro validation for HLA-A*01:191, HLA-B*15:01, and HLA-C*08:02. Our work provides a basis to delineate the solution surface features and immunogenicity of clinically relevant neoepitope/HLA targets for cancer therapy.
ComplexEye: a multi-lens array microscope for high-throughput embedded immune cell migration analysis
Authors: Cibir Zülal , Hassel Jacqueline , Sonneck Justin , Kowitz Lennart , Beer Alexander , Kraus Andreas , Hallekamp Gabriel , Rosenkranz Martin , Raffelberg Pascal , Olfen Sven , Smilowski Kamil , Burkard Roman , Helfrich Iris , Tuz Ali Ata , Singh Vikramjeet , Ghosh Susmita , Sickmann Albert , Klebl Anne-Kathrin , Eickhoff Jan Eike , Klebl Bert , Seidl Karsten , Chen Jianxu , Grabmaier Anton , Viga Reinhard , Gunzer Matthias
Published: December 2023

Autonomous migration is essential for the function of immune cells such as neutrophils and plays an important role in numerous diseases. The ability to routinely measure or target it would offer a wealth of clinical applications. Video microscopy of live cells is ideal for migration analysis, but cannot be performed at sufficiently high-throughput (HT). Here we introduce ComplexEye, an array microscope with 16 independent aberration-corrected glass lenses spaced at the pitch of a 96-well plate to produce high-resolution movies of migrating cells. With the system, we enable HT migration analysis of immune cells in 96- and 384-well plates with very energy-efficient performance. We demonstrate that the system can measure multiple clinical samples simultaneously. Furthermore, we screen 1000 compounds and identify 17 modifiers of migration in human neutrophils in just 4 days, a task that requires 60-times longer with a conventional video microscope. ComplexEye thus opens the field of phenotypic HT migration screens and enables routine migration analysis for the clinical setting.
Manipulation of fractionalized charge in the metastable topologically entangled state of a doped Wigner crystal
Authors: Mraz Anze , Diego Michele , Kranjec Andrej , Vodeb Jaka , Karpov Peter , Gerasimenko Yaroslav , Ravnik Jan , Vaskivskyi Yevhenii , Venturini Rok , Kabanov Viktor , Lipovšek Benjamin , Topič Marko , Vaskivskyi Igor , Mihailovic Dragan
Published: December 2023

Metastability of many-body quantum states is rare and still poorly understood. An exceptional example is the low-temperature metallic state of the layered dichalcogenide 1T-TaS2 in which electronic order is frozen after external excitation. Here we visualize the microscopic dynamics of injected charges in the metastable state using a multiple-tip scanning tunnelling microscope. We observe non-thermal formation of a metastable network of dislocations interconnected by domain walls, that leads to macroscopic robustness of the state to external thermal perturbations, such as small applied currents. With higher currents, we observe annihilation of dislocations following topological rules, accompanied with a change of macroscopic electrical resistance. Modelling carrier injection into a Wigner crystal reveals the origin of formation of fractionalized, topologically entangled networks, which defines the spatial fabric through which single particle excitations propagate. The possibility of manipulating topological entanglement of such networks suggests the way forward in the search for elusive metastable states in quantum many body systems.
Nonintrusive thermal-wave sensor for operando quantification of degradation in commercial batteries
Authors: Zeng Yuqiang , Shen Fengyu , Zhang Buyi , Lee Jaeheon , Chalise Divya , Zheng Qiye , Fu Yanbao , Kaur Sumanjeet , Lubner Sean D. , Battaglia Vincent S. , McCloskey Bryan D. , Tucker Michael C. , Prasher Ravi S.
Published: December 2023

Monitoring real-world battery degradation is crucial for the widespread application of batteries in different scenarios. However, acquiring quantitative degradation information in operating commercial cells is challenging due to the complex, embedded, and/or qualitative nature of most existing sensing techniques. This process is essentially limited by the type of signals used for detection. Here, we report the use of effective battery thermal conductivity (keff) as a quantitative indicator of battery degradation by leveraging the strong dependence of keff on battery-structure changes. A measurement scheme based on attachable thermal-wave sensors is developed for non-embedded detection and quantitative assessment. A proof-of-concept study of battery degradation during fast charging demonstrates that the amount of lithium plating and electrolyte consumption associated with the side reactions on the graphite anode and deposited lithium can be quantitatively distinguished using our method. Therefore, this work opens the door to the quantitative evaluation of battery degradation using simple non-embedded thermal-wave sensors.
Hydrogen-bonding and π-π interaction promoted solution-processable covalent organic frameworks
Authors: Zhang Lei , Zhu Qiu-Hong , Zhou Yue-Ru , Wang Shuang-Long , Fu Jie , Liu Jia-Ying , Zhang Guo-Hao , Ma Lijian , Tao Guohua , Tao Guo-Hong , He Ling
Published: December 2023

Covalent organic frameworks show great potential in gas adsorption/separation, biomedicine, device, sensing, and printing arenas. However, covalent organic frameworks are generally not dispersible in common solvents resulting in the poor processability, which severely obstruct their application in practice. In this study, we develop a convenient top-down process for fabricating solution-processable covalent organic frameworks by introducing intermolecular hydrogen bonding and π-π interactions from ionic liquids. The bulk powders of imine-linked, azine-linked, and β-ketoenamine linked covalent organic frameworks can be dispersed homogeneously in optimal ionic liquid 1-methyl-3-octylimidazolium bromide after heat treatment. The resulting high-concentration colloids are utilized to create the covalent organic framework inks that can be directly printed onto the surface. Molecular dynamics simulations and the quantum mechanical calculations suggest that C‒H···π and π-π interaction between ionic liquid cations and covalent organic frameworks may promote the formation of colloidal solution. These findings offer a roadmap for preparing solution-processable covalent organic frameworks, enabling their practical applications.
Non-identical moiré twins in bilayer graphene
Authors: Arrighi Everton , Nguyen Viet-Hung , Di Luca Mario , Maffione Gaia , Hong Yuanzhuo , Farrar Liam , Watanabe Kenji , Taniguchi Takashi , Mailly Dominique , Charlier Jean-Christophe , Ribeiro-Palau Rebeca
Published: December 2023

The superlattice obtained by aligning a monolayer graphene and boron nitride (BN) inherits from the hexagonal lattice a sixty degrees periodicity with the layer alignment. It implies that, in principle, the properties of the heterostructure must be identical for 0° and 60° of layer alignment. Here, we demonstrate, using dynamically rotatable van der Waals heterostructures, that the moiré superlattice formed in a bilayer graphene/BN has different electronic properties at 0° and 60° of alignment. Although the existence of these non-identical moiré twins is explained by different relaxation of the atomic structures for each alignment, the origin of the observed valley Hall effect remains to be explained. A simple Berry curvature argument is not sufficient to explain the 120° periodicity of this observation. Our results highlight the complexity of the interplay between mechanical and electronic properties in moiré structures and the importance of taking into account atomic structure relaxation to understand their electronic properties.
Evidence for increased parallel information transmission in human brain networks compared to macaques and male mice
Authors: Griffa Alessandra , Mach Mathieu , Dedelley Julien , Gutierrez-Barragan Daniel , Gozzi Alessandro , Allali Gilles , Grandjean Joanes , Van De Ville Dimitri , Amico Enrico
Published: December 2023

Brain communication, defined as information transmission through white-matter connections, is at the foundation of the brain’s computational capacities that subtend almost all aspects of behavior: from sensory perception shared across mammalian species, to complex cognitive functions in humans. How did communication strategies in macroscale brain networks adapt across evolution to accomplish increasingly complex functions? By applying a graph- and information-theory approach to assess information-related pathways in male mouse, macaque and human brains, we show a brain communication gap between selective information transmission in non-human mammals, where brain regions share information through single polysynaptic pathways, and parallel information transmission in humans, where regions share information through multiple parallel pathways. In humans, parallel transmission acts as a major connector between unimodal and transmodal systems. The layout of information-related pathways is unique to individuals across different mammalian species, pointing at the individual-level specificity of information routing architecture. Our work provides evidence that different communication patterns are tied to the evolution of mammalian brain networks.
Debiased inference for heterogeneous subpopulations in a high-dimensional logistic regression model
Authors: Kim Hyunjin , Lee Eun Ryung , Park Seyoung
Published: December 2023

Due to the prevalence of complex data, data heterogeneity is often observed in contemporary scientific studies and various applications. Motivated by studies on cancer cell lines, we consider the analysis of heterogeneous subpopulations with binary responses and high-dimensional covariates. In many practical scenarios, it is common to use a single regression model for the entire data set. To do this effectively, it is critical to quantify the heterogeneity of the effect of covariates across subpopulations through appropriate statistical inference. However, the high dimensionality and discrete nature of the data can lead to challenges in inference. Therefore, we propose a novel statistical inference method for a high-dimensional logistic regression model that accounts for heterogeneous subpopulations. Our primary goal is to investigate heterogeneity across subpopulations by testing the equivalence of the effect of a covariate and the significance of the overall effects of a covariate. To achieve overall sparsity of the coefficients and their fusions across subpopulations, we employ a fused group Lasso penalization method. In addition, we develop a statistical inference method that incorporates bias correction of the proposed penalized method. To address computational issues due to the nonlinear log-likelihood and the fused Lasso penalty, we propose a computationally efficient and fast algorithm by adapting the ideas of the proximal gradient method and the alternating direction method of multipliers (ADMM) to our settings. Furthermore, we develop non-asymptotic analyses for the proposed fused group Lasso and prove that the debiased test statistics admit chi-squared approximations even in the presence of high-dimensional variables. In simulations, the proposed test outperforms existing methods. The practical effectiveness of the proposed method is demonstrated by analyzing data from the Cancer Cell Line Encyclopedia (CCLE).
Effects of in-utero personal exposure to PM2.5 sources and components on birthweight
Authors: O’Sharkey Karl , Xu Yan , Cabison Jane , Rosales Marisela , Yang Tingyu , Chavez Thomas , Johnson Mark , Lerner Deborah , Lurvey Nathana , Corral Claudia M. Toledo , Farzan Shohreh F. , Bastain Theresa M. , Breton Carrie V. , Habre Rima
Published: December 2023

In-utero exposure to fine particulate matter (PM2.5) and specific sources and components of PM2.5 have been linked with lower birthweight. However, previous results have been mixed, likely due to heterogeneity in sources impacting PM2.5 and due to measurement error from using ambient data. Therefore, we investigated the effect of PM2.5 sources and their high-loading components on birthweight using data from 198 women in the 3rd trimester from the MADRES cohort 48-h personal PM2.5 exposure monitoring sub-study. The mass contributions of six major sources of personal PM2.5 exposure were estimated for 198 pregnant women in the 3rd trimester using the EPA Positive Matrix Factorization v5.0 model, along with their 17 high-loading chemical components using optical carbon and X-ray fluorescence approaches. Single- and multi-pollutant linear regressions evaluated the association between personal PM2.5 sources/components and birthweight, adjusting for gestational age, maternal age, race, infant sex, parity, diabetes status, temperature, maternal education, and smoking history. Participants were predominately Hispanic (81%), with a mean (SD) gestational age of 39.1 (1.5) weeks and age of 28.2 (6.0) years. Mean birthweight was 3295.8 g (484.1) and mean PM2.5 exposure was 21.3 (14.4) µg/m3. A 1 SD increase in the mass contribution of the fresh sea salt source was associated with a 99.2 g decrease in birthweight (95% CI − 197.7, − 0.6), and aged sea salt was associated with a 70.1 g decrease in birthweight (95% CI − 141.7, 1.4). Magnesium, sodium, and chlorine were associated with lower birthweight, which remained after adjusting for PM2.5 mass. This study found evidence that major sources of personal PM2.5 including fresh and aged sea salt were negatively associated with birthweight, with the strongest effect on birthweight from Na and Mg. The effect of crustal and fuel oil sources differed by infant sex with negative associations seen in boys compared to positive associations in girls.
Endometriosis and epithelial ovarian cancer: a two-sample Mendelian randomization analysis
Authors: Wang Li , Li Xuri , Wang Yan , Li Guofeng , Dai Shuzhen , Cao Mengying , Meng Zhen , Ren Songtao
Published: December 2023

Endometriosis, a prevalent condition, has long been recognized as a chronic and debilitating ailment affecting an estimated 1790 million women worldwide. Observational studies have established a correlation between endometriosis and ovarian cancer. Thus, we endeavored to employ Two-Sample Mendelian Randomization, utilizing summary statistics from a Genome-Wide Association Study of endometriosis and epithelial ovarian cancer, with genetic markers serving as proxies for epithelial ovarian cancer. The analysis revealed a significant correlation between these entities, with an odds ratio (OR) of 1.23 (95% CI 1.11–1.36). Upon histotype-specific examination, robust evidence emerged for an association of endometriosis with the risk of endometrioid carcinoma (OR 1.49, 95% CI 1.24–1.81), clear cell carcinoma (OR 2.56, 95% CI 1.75–3.73), and low malignant potential tumors (OR 1.28, 95% CI 1.08–1.53). These findings provide a theoretical framework for prospective investigations aimed at enhancing the potential therapeutic efficacy of managing endometriosis in averting the onset and progression of ovarian cancer.
A novel primary antibiotic cement-coated locking plate as a temporary fixation for the treatment of open tibial fracture
Authors: Kang Yongqiang , Wu Yongwei , Ma Yunhong , Jia Xueyuan , Zhang Mingyu , Zhou Ming , Lin Fang , Rui Yongjun
Published: December 2023

Complex lower extremity trauma reconstruction remains a challenge. This study used an internal fixation composite structure of antibiotic cement plates as a temporary fixation to treat lower extremity Grade III open fractures; thus, reducing the treatment period and complications of external fixation. We aimed to assess the safety and efficacy of this technique in the initial surgery stage. Between January 2018 and March 2021, 20 patients with Gustilo grade IIIB/C open fractures received an antibiotic cement-coated locking plate as a temporary internal fixator during initial surgery. Thorough debridement and temporary internal fixation were performed with a 3.5-mm system antibiotic cement-coated locking plate. Ten patients required free bone fragment removal, followed by bone cement packing. The final stage involved internal fixation and wound repair with a free anterolateral thigh flap. Clinical and imaging results were retrospectively analysed. The repair time ranged 1–7 days. All flaps survived. Two patients experienced wound infection, and one developed severe bone infection 3 months after three-stage bone graft surgery. Autologous cancellous bone grafting was performed on 10 patients with bone defects 6 weeks after surgery. Bone union was universally achieved after 1 year. This method proved safe and effective, successfully repairing Grade III open fractures of the lower extremity 1–7 days post-treatment.
Efficient delivery of methotrexate to MDA-MB-231 breast cancer cells by a pH-responsive ZnO nanocarrier
Authors: Raut Jiko , Sarkar Olivia , Das Tanmoy , Mandal Santi M. , Chattopadhyay Ansuman , Sahoo Prithidipa
Published: December 2023

Methotrexate (MTX), an efficient chemotherapy medication is used in treating various malignancies. However, the breast cancer cell line MDA-MB-231 has developed resistance to it due to low levels of the MTX transport protein, and reduced folate carrier (RFC), making it less effective against these cancer cells. Here we designed a very simple, biocompatible, and non-toxic amine-capped ZnO quantum dots to overcome the MTX resistance on the MDA-MB-231 breast cancer cell line. The QD was characterized by HRTEM, DLS EDX, FT-IR, UV–Vis, and Fluorescence spectroscopy. MTX loading onto the QD was confirmed through fluorescence and UV–Vis spectroscopy. Additionally, extensive confocal microscopic investigations were carried out to determine whether the MTX was successfully released on the MDA-MB-231 cell line. It was discovered that QD is a better pH-responsive delivery system than the previous ones because it successfully delivers MTX to the MDA-MB-231 at a higher rate on an acidic pH than it does at a physiological pH. QD also has anticancer activity and can eradicate cancer cells on its own. These factors make the QD to be an effective pH-responsive delivery system that can improve the efficacy of the medication in therapeutic diagnosis.
Single-cell transcriptome sequencing reveals spatial distribution of IL34+ cancer-associated fibroblasts in hepatocellular carcinoma tumor microenvironment
Authors: Wang Ganggang , Zhou Zhijie , Jin Wenzhi , Zhang Xin , Zhang Hao , Wang Xiaoliang
Published: December 2023

We utilized scRNA-seq, a well-established technology, to uncover the gene expression characteristics of IL34+ CAFs within HCC. We analyzed the related mechanisms through in vitro and in vivo assays. To begin, we acquired scRNA-seq datasets about HCC, which enabled us to identify distinct cell subpopulations within HCC tissues. We conducted a differential analysis to pinpoint DEGs associated with normal fibroblasts (NFs) and CAFs. Subsequently, we isolated NFs and CAFs, followed by the sorting of IL34+ CAFs. These IL34+ CAFs were then co-cultured with T cells and HCC cells to investigate their potential role in Tregs infiltration, CD8+ T cell toxicity, and the biological processes of HCC cells. We validated our findings in vivo using a well-established mouse model. Our analysis of HCC tissues revealed the presence of seven primary cell subpopulations, with the most significant disparities observed within fibroblast subpopulations. Notably, high IL34 expression was linked to increased expression of receptor proteins and enhanced proliferative activity within CAFs, with specific expression in CAFs. Furthermore, we identified a substantial positive correlation between IL34 expression and the abundance of Tregs. Both in vitro and in vivo experiments demonstrated that IL34+ CAFs promoted Tregs infiltration while suppressing CD8+ T cell toxicity. Consequently, this promoted the growth and metastasis of HCC. In summary, our study affirms that IL34+ CAFs play a pivotal role in augmenting the proliferative activity of CAFs, facilitating Tregs infiltration, and inhibiting CD8+ T cell toxicity, ultimately fostering the growth and metastasis of HCC.
Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin
Authors: Liu Zi-Hao , Xiao Jian , Zhai Qian-Qian , Tang Xi , Xu Li-Jun , Zhuang Zhi-Yuan , Wang Ya-Wen , Peng Yu
Published: December 2023

The first enantiodivergent synthesis of pentacyclic natural product linoxepin was achieved by late-stage oxidation of a diastereodivergent core, which could be synthesized by a unique nickel-catalyzed intramolecular reductive coupling.
Synthesis and supramolecular properties of all-cis-2,4,6-trifluorocyclohexane-1,3,5-triol
Authors: Haridas Shyamkumar V. , von Delius Max
Published: December 2023

We report the synthesis of a tripodal, facially polarized cyclohexane building block that is easy to functionalize.
Pyrazolate vs. phenylethynide: direct exchange of the anionic bridging ligand in a cyclic trinuclear silver complex
Authors: Titov Aleksei A. , Smol’yakov Alexander F. , Chernyadyev Andrey Yu. , Godovikov Ivan A. , Filippov Oleg A. , Shubina Elena S.
Published: December 2023

Cyclic trinuclear silver complex interacts with phenylacetylene in the absence of proton abstractors via a formal anionic bridging ligand exchange reaction, forming unique μ2-η1 σ-coordination of a terminal carbon atom with two Ag ions.
Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands
Authors: Duan Chun-Pu , Ni Ya-Lu , Yang Xu-Dong , Huang Jing-Yu , Shen Yong-Hui , Gu Xun-Gang , Ni Gang , Ma Miao-Lian , Li Juan , Qin Ling
Published: December 2023

Two organic ligands, one rigid and one flexible, were used to construct two cobalt MOFs, respectively. The HER performance of the derived materials based on the rigid ligand is better than that of derivatives based on the flexible organic ligand.
Research on structural strengthening technology for regenerative denitration catalysts
Authors: Ji Dongliang , Jiang Dongxue , Li Yang , Zhang Huan , Zhou Haiyun , Huang Zhaoqin , Zhu Jianzhong
Published: December 2023

The cost of replacing failed selective catalytic reduction (SCR) catalysts and their disposal as hazardous solid waste is high.
Mechanistic insights into the electrolyte effects on the electrochemical nitrogen reduction reaction using copper hexacyanoferrate/f-MWCNT nano-composites
Authors: Bhat Aamir Y. , Jain Priya , Bhat Mohsin A. , Ingole Pravin P.
Published: December 2023

Developing an efficient, selective, and stable electrocatalysis system for the electrocatalytic N2 reduction reaction (ENRR) is a promising strategy for the green and sustainable production of ammonia.
Trapping a non-cognate nucleotide upon initial binding for replication fidelity control in SARS-CoV-2 RNA dependent RNA polymerase
Authors: Romero Moises E. , McElhenney Shannon J. , Yu Jin
Published: December 2023

Non-cognate GTP and dATP nucleotides can be stabilized or trapped upon initial binding to be prevented from further insertion into the active site of SARS-CoV-2 RdRp enzyme in viral genome replication fidelity control.
Boiling, critical, and freezing temperatures in light of molecular descriptors: correlation and causation
Authors: Abdeen Ossama , Ismael Mohamed , Abdou Aly
Published: December 2023

In the pursuit of tracking some physicochemical properties of fluids down to the molecular level, ab initio molecular surface analyses were performed on 169 molecules.
Nucleic acid degradation as barrier to gene delivery: a guide to understand and overcome nuclease activity
Authors: Zhang Heyang , Vandesompele Jo , Braeckmans Kevin , De Smedt Stefaan C. , Remaut Katrien
Published: December 2023

This review discusses DNases and RNases present in the human body, strategies to reduce the degradation of gene therapeutics after administration and available methods to follow nuclease activity in buffer and living cells.
Molecular identification and safety assessment of the potential probiotic strain Bacillus paralicheniformis HMPM220325 isolated from artisanal fruit dairy products
Authors: Liang Xiao , Dai Nini , Yang Fan , Zhu Haimei , Zhang Guanghui , Wang Yongzhong
Published: December 2023

Bacillus probiotics exhibit considerable economic potential owing to their heightened resilience to external stressors and relatively lower costs related to production and preservation.
Sulfur-containing polymer/carbon nanotube composite cathode materials for high-energy lithium–sulfur batteries
Authors: Wang Shuimiao , Wu Yurui , Yang Ming , Sun Li , Tao Yong , Yang Chang-An
Published: December 2023

A sulfur-rich polymer/carbon nanotube composite cathode prepared by a facile method can achieve excellent long-term cycling performance at high current densities.
The feasibility of mixed Ga and In hybrid halide perovskites as alternatives to Pb halide perovskites
Authors: Kalita Tanmoy , Chutia Tridip , Tumung Ranjit , Kalita Dhruba Jyoti
Published: December 2023

The trivalent metal cation based A3B2X9 type perovskite materials exhibit non-toxicity and more ambient stability compared to the conventional ABX3 type perovskite materials.
Palladium-catalyzed α-arylation/β-elimination of sulfones
Authors: Yu Mengzhao , Duan Luqiong , Zhang Xinwei , Zhang Qian , Wang Hongzhen , Huang Xiaolei
Published: December 2023

A catalytic coupling of benzylic sulfones with aryl triflates for the synthesis of 1,1-diarylethylenes was reported. The transformation tolerates various benzylic sulfones, especially heteroaromatic-substituted sulfones.
Study of adsorption-oxidative degradation of PAHs over organic–inorganic hybrid layered double hydroxides
Authors: Zhang Huimin , Liang Jinhua , Xu Yang , Gu Yitao , Yang Tanyi , Peng Chaofei , Ren Xiaoqian
Published: December 2023

Polycyclic aromatic hydrocarbons (PAHs) are well-known hazardous pollutants.
Evaluation of using the time-dependent density functional theory in studying the fluorescence properties of coumarin derivatives
Authors: Hien Nguyen Khoa , Bay Mai Van , Vo Quan V. , Y. Ngo Duy , Quang Duong Tuan , Nam Pham Cam
Published: December 2023

Evaluating 11 DFT functionals in predicting fluorescence properties alongside experimental results of 30 coumarin derivatives.
A facile, low-cost bimetallic iron–nickel MOF nanozyme-propelled ratiometric fluorescent sensor for highly sensitive and selective uric acid detection and its smartphone application
Authors: Han Jiawen , Zhang Yuwei , Lv Xujuan , Fan Daoqing , Dong Shaojun
Published: December 2023

The first metal–organic-framework (MOF) nanozyme-based ratiometric fluorescent sensor for uric acid is constructed.
Recent progress in plasma modification of 2D metal chalcogenides for electronic devices and optoelectronic devices
Authors: Tian Siying , Sun Dapeng , Chen Fengling , Wang Honghao , Li Chaobo , Yin Chujun
Published: December 2023

Recent progress in plasma modification of 2D MCs in electronic and optoelectronic devices with regulation strategies, applications, and prospects.
Recent developments in the total synthesis of natural products using the Ugi multicomponent reactions as the key strategy
Authors: Larghi Enrique L. , Bracca Andrea B. J. , Simonetti Sebastián O. , Kaufman Teodoro S.
Published: December 2023

The Ugi multicomponent reaction has acquired a prominent place in modern total synthesis of natural products. Their simplicity and versatility have enabled the development of elegant, efficient, and step-economical sequences toward complex compounds.
Up-regulation of SLC7A11/xCT creates a vulnerability to selenocystine-induced cytotoxicity
Authors: Tan Shawn Lu Wen , Tan Hui Min , Israeli Erez , Fatihah Indah , Ramachandran Vignesh , Ali Shamsia Bte , Goh Shane Jun An , Wee Jillian , Tan Alicia Qian Ler , Tam Wai Leong , Han Weiping
Published: December 2023

The SLC7A11/xCT cystine and glutamate antiporter has emerged as an attractive target for cancer therapy due to its selective overexpression in multiple cancers and its role in preventing ferroptosis. Utilizing pharmacological and genetic approaches in hepatocellular carcinoma cell lines, we demonstrate that overexpression of SLC7A11 engenders hypersensitivity towards l-selenocystine, a naturally occurring diselenide that bears close structural similarity to l-cystine. We find that the abundance of SLC7A11 positively correlates with sensitivity to l-selenocystine, but surprisingly, not to Erastin, an inhibitor of SLC7A11 activity. Our data indicate that SLC7A11 acts as a transport channel for l-selenocystine, which preferentially incites acute oxidative stress and damage eventuating to cell death in cells that highly express SLC7A11. Hence, our findings raise the prospect of l-selenocystine administration as a novel strategy for targeting cancers that up-regulate SLC7A11 expression.
Machine Learning for Load Forecasting in Power Systems
Authors: Satyanarayana Salava V. , Madhavi Pillalamarri
Published: December 2023

For the electrical sector, the analysis of massive volumes of data acquired from different electrical systems like Generation, Transmission, and Distribution plays a vital role. Without human interaction, control systems like SCADA and HMI are used to evaluate the data, which is retrieved from various electrical systems such as Generation, Transmission, and Distribution. Automation of every system is necessary to fulfil industry 4.0 criteria. The Internet of Things (IoT) can be used to do this by incorporating the data while implementing proper cybersecurity safeguards. To improve the operational maintenance of electrical systems in the future, this research makes the suggestion that intelligent predictive data analysis be used. Several energy sources and total capacity data files are used in the analysis of both contemporary and historical data in the study. supervised machine learning algorithms are used to analyze the data that is accessible, and each algorithm’s precisionis evaluated by the examination of anticipated data.
The Future of Green Building Research – A Cascade Approach of Bibliometric Analysis and Topic Modelling
Authors: Aditya Thangjam , Raj Varun D.
Published: December 2023

Green building research has received a lot of attention from both academicians and practitioners. Even though, this has resulted in a surge in Green Building literature in the recent times, the review of the literature has either being too focused on specific aspects or too broad. This study attempts to address this issue by employing a combination of bibliometric analysis and topic modelling. The inclusion of a stringent quality filter and use of CorEx topic modelling has enabled us to generate a list of future research directions, which were further streamlined through manual intervention. The study has revealed a few very promising few research directions including the application of Artificial Intelligence (AI) in Green Building, Building Information System (BIM) for Green Building, development of sustainable materials and construction methods, socio-economic impact assessment of Green Buildings and incorporation of Internal Environmental Quality principles into built environment. The findings of the study are an integration of recommendations by many impactful studies in the Green Building literature and have tried to be a true testament to the idea that ‘the whole is greater than the sum of its parts’.
Carbon Quantum Dots in Healthcare: A Promising Solution for Sustainable Healthcare and Biomedical Practices
Authors: Sugunakara Chary Kokkonda Jackson , Sharma Anuradha , Singh Amrita
Published: December 2023

The pursuit of sustainable development refers to meet the present needs while safeguarding the resources for future generations ensuring the well-being of human societies. Nanoscience is contributing significantly to the field of public healthcare by delivering a number of cutting-edge technological applications and products related to healthcare. Carbon quantum dots (CQDs), carbon-based nanomaterials, are gaining recognition for their potential health benefits worldwide. The current study aims to review the applications of CQDs in the biomedical field based on existing literature. The methodology used is the collection of the literature studies from authoritative sources such as Google Scholar, PubMed, and ResearchGate, with keywords ‘Carbon quantum dots in healthcare, biosensing, bioimaging, gene therapy, treatment, and theranostics’. The retrieved literature was comprehensively analyzed to construct the detailed review which suggests that CQDs have demonstrated remarkable potential across various domains, from disease treatment to biosensing, gene delivery, drug delivery, and bioimaging thus helping to achieve the 3rd goal of sustainable development. In addition to CQDs synthesized by chemical processes, natural CQDs developed by green chemistry from natural sources are gaining accreditation due to their evidenced potential health benefits. This article has reviewed the versatile applications of Carbon Quantum Dots (CQDs) in the biomedical field and discussed the possible contributions to achieve sustainable healthcare for the first time, suggesting CQDs as a potential target for future research and development. However, there are some limitations of CQDs including complex surface modification, toxicity, limited clinical translation which requires more attention in order to improve their healthcare applicability.
Sustainability by Design: Innovative Ways of Revolutionizing Production Practices for a Better Tomorrow
Authors: Dixit Krishna Kant , Dharme Ashwin , Singh Durgeshwar Pratap , Kalra Ravi , Bhavani B. , Asha V. , Abdulsada Zainab. R.
Published: December 2023

The incorporation of virtual design, augmented reality (AR), and immersive 3D modelling has resulted in a significant and extensive impact on several aspects of society and culture. The aforementioned technologies have not only brought about significant changes in various sectors such as education, entertainment, healthcare, and real estate, but they have also fundamentally transformed the way in which we engage in communication, interaction, and our overall perception of the surrounding world. Within the field of education, the utilisation of virtual design and immersive technology has expanded the possibilities for learning, presenting opportunities for interactive, experiential, and dynamic educational encounters. The use of various resources, such as 3D anatomy lectures and virtual historical excursions, has significantly augmented our capacity to comprehend intricate issues and facilitated a more captivating methodology towards education. The field of healthcare and medicine has experienced significant advancements as a result of these technologies, which have facilitated enhanced surgical planning, medical training, and therapeutic interventions. The field of telemedicine has seen a significant transformation with the integration of augmented reality (AR), resulting in enhanced accessibility and convenience of healthcare services, particularly in geographically isolated or underserved regions. The influence of these technologies has been extended to the preservation of cultural heritage, facilitating the digitization and conservation of heritage places and artefacts, so ensuring their accessibility for future generations to study and appreciate. The democratisation of creativity and empowerment has facilitated the artistic expression and utilisation of 3D models and augmented reality (AR) applications by individuals from various backgrounds. it is crucial to acknowledge ethical and societal concerns as we adopt these revolutionary technologies. The issues of privacy, addiction, misinformation, and the ethical utilisation of data are matters that necessitate continuous focus and resolution.
Reshaping Industry: Adoption of Sustainable Techniques providing Remanufacturing Solutions in High-Tech industries
Authors: Sharma Aman , Gaikwad Ashwini , Singh Durgeshwar Pratap , Kalra Ravi , Keerthi S. Swarna , Raj Vijilius Helena , Shaghnab Murtadha Laftah
Published: December 2023

The current industrial environment is seeing a significant change towards sustainability and the integration of modern technology. Remanufacturing is developing as a crucial solution that intersects both developments. This manuscript presents a synopsis of the upcoming comprehensive research report that examines the ongoing paradigm shift observed in several businesses around the globe. The practise of remanufacturing, which involves the restoration of used products to a condition comparable to that of newly manufactured items, is increasingly becoming recognised as an environmentally viable alternative to conventional manufacturing methods. This study investigates the role of remanufacturing in facilitating resource conservation, waste reduction, and the establishment of a circular economy. This study examines the environmental advantages, economic feasibility, and regulatory structures that facilitate the adoption of remanufacturing. In conjunction with the principle of sustainability, advanced technological solutions are significantly transforming the field of remanufacturing practises. State-of-the-art technologies, including artificial intelligence, robots, additive manufacturing, and the Internet of Things (IoT), are being utilised to optimise and augment the remanufacturing process. The present study work aims to conduct an analysis of the integration of various technologies, with a particular focus on evaluating their impact on efficiency, quality, and cost-effectiveness. This paper will examine how industries from diverse sectors are adopting remanufacturing as a central approach to achieve a more environmentally sustainable and technologically advanced future. The analysis will be supported by case studies and real-world examples.
Maximizing towards the Sustainability: Integrating Materials, Energy, and Resource Efficiency in revolutionizing Manufacturing Industry
Authors: Chaturvedi Rishabh , Darokar Hemant , Patil Pravin P. , Kumar Mukesh , Sangeeta K. , Aravinda K. , Kadhim Ali Abdulhasan
Published: December 2023

The use of a sustainable future has led to the recognition of the crucial role played by the combination of materials, energy, and resource efficiency. The integration in question exemplifies the fundamental concepts of circularity, the optimisation of resources, and the responsible management of the environment. The focal point lies in the conscientious acquisition and administration of materials, as well as the prudent utilisation of energy resources and the reduction of waste. This abstract explores the importance of incorporating materials, energy, and resource efficiency in order to achieve sustainability. It emphasises concrete, practical applications that exemplify the feasibility and transformative capacity of this integrated approach. There are many practical applications of the utilisation of reclaimed wood for the production of sustainable furniture, the incorporation of recycled steel in the construction of building structures, and the integration of eco-friendly composites in the manufacturing processes of the automotive industry. The electronics sector is currently integrating circular economy principles into its operations by adopting strategies that prioritise the ease of disassembly, repair, and recycling of items. Apple and similar corporations have implemented recycling initiatives aimed at refurbishing and repurposing outdated equipment, thereby prolonging their lifespan and reducing the generation of electronic waste. By examining these actual applications and others, it becomes evident that the incorporation of materials, energy, and resource efficiency not only corresponds with sustainability objectives but also yields concrete environmental, economic, and societal advantages.
Regenerative Manufacturing: Crafting a Sustainable Future through Design and Production
Authors: Badhoutiya Arti , Darokar Hemant , Verma Rajesh Prasad , Saraswat Manish , Devaraj S. , Raj Vijilius Helena , Abdulhussain Zahraa N.
Published: December 2023

In an era characterised by mounting environmental concerns and a growing awareness of the critical need for sustainability, the manufacturing industry stands at a crossroads. “Regenerative Manufacturing” emerges as a visionary strategy that not only tries to lower the ecological footprint of production but also seeks to restore and rejuvenate ecosystems, communities, and economies. This abstract provides a look into the profound potential of regenerative manufacturing, showcasing its main principles, processes, and its transformational impact on the future of design and production. Regenerative manufacturing signifies a fundamental transformation in the conceptualization, production, and use of items. The manufacturing process incorporates sustainability, circularity, and resilience throughout all its stages, encompassing material selection, design, production, distribution, and end-of-life concerns. The holistic approach discussed here places significant emphasis on the reduction of waste, optimisation of energy usage, and the utilisation of regenerative resources. This strategy aims to establish a regenerative cycle that actively supports the nourishment of the environment, rather than causing its depletion By employing novel methodologies such as biomimicry and generative design, this approach effectively harnesses the knowledge inherent in nature to stimulate the development of sustainable solutions. The regenerative manufacturing paradigm places significant emphasis on the core principles of collaboration and inclusivity. The recognition of the interconnection of all stakeholders is evident, encompassing producers, designers, customers, and local communities. By promoting openness and upholding ethical standards, this approach facilitates socially responsible production techniques that enhance the agency of local economies, safeguard cultural heritage, and prioritise the welfare of employees. The revolutionary capacity of regenerative manufacturing extends beyond the scope of specific goods and sectors. The power of this phenomenon lies in its ability to transform economic systems, facilitating a shift away from a linear model characterised by the processes of extraction, production, and disposal, towards a regenerative and circular economy. This transition offers not alone ecological advantages, but also financial robustness and enduring success.
Current developments in LNGS underground physics
Authors: Formicola A. , Ianni A. , Imbriani G. , Laubenstein M. , Pirro S. , Previtali E.
Published: December 2023

The Gran Sasso National Laboratory in Italy (LNGS) is at present the largest deep underground laboratory in the world. LNGS has been in operation for 35 years. It has a rock overburden of 1.4 km which reduces the muon flux from cosmic rays by a factor of one million.
Shedding light on the building blocks of matter and the early universe at CERN
Authors: Behr Katharina
Published: December 2023

From its early beginnings, the scientific activities at CERN have been driven by the desire to uncover the fundamental constituents of nature and their interactions, and to understand how they shape the evolution of our universe. This article provides an overview of past and current research at CERN.