Distinct Interactions Research Articles

Investigating Lipase/Stain Interactions: Determining Interfacial Protein Conformation with Surface Spectroscopy.

Conventional bulk protein structure determination methods are not suitable for understanding the distinct and diverse interactions of proteins with interfaces. Notably, interfacial activation is a feature common to many lipases involving movement of a helical "lid" region upon contact with a hydrophobic surface to expose the catalytic site. Here we use the surface specificity of vibrational sum frequency generation spectroscopy (VSFG) spectroscopy to directly probe the conformation of Thermomyces lanuginosus lipase (TLL) at hydrophobic interfaces. The TLL-catalyzed reaction at the air/water interface is monitored by VSFG spectroscopy, showing loss of ester carbonyl modes and appearance of carboxylate stretching modes of the fatty acid products. Furthermore, comparison of experimental and calculated VSFG spectra of the amide I band of TLL allows us to discern the subtle structural changes involved with lid-opening at a hydrophobic surface. Finally, we report a likely orientation of this lid-open state, which interacts with the surface through a loop region away from the lid and active site. This experimental framework for probing protein structure and function at interfaces addresses a significant problem in protein science that is not only impeding the design of better enzymes for biotechnology applications but also drug discovery targeting membrane associated proteins.

Distinct active zone protein machineries mediate Ca2+ channel clustering and vesicle priming at hippocampal synapses.

Action potentials trigger neurotransmitter release at the presynaptic active zone with spatiotemporal precision. This is supported by protein machinery that mediates synaptic vesicle priming and clustering of CaV2 Ca2+ channels nearby. One model posits that scaffolding proteins directly tether vesicles to CaV2s; however, here we find that at mouse hippocampal synapses, CaV2 clustering and vesicle priming are executed by separate machineries. CaV2 nanoclusters are positioned at variable distances from those of the priming protein Munc13. The active zone organizer RIM anchors both proteins but distinct interaction motifs independently execute these functions. In transfected cells, Liprin-α and RIM form co-assemblies that are separate from CaV2-organizing complexes. At synapses, Liprin-α1-Liprin-α4 knockout impairs vesicle priming but not CaV2 clustering. The cell adhesion protein PTPσ recruits Liprin-α, RIM and Munc13 into priming complexes without co-clustering CaV2s. We conclude that active zones consist of distinct machineries to organize CaV2s and prime vesicles, and Liprin-α and PTPσ specifically support priming site assembly.

(-)-Epicatechin metabolites as a GPER ligands: a theoretical perspective.

Diet habits and nutrition quality significantly impact health and disease. Here is delve into the intricate relationship between diet habits, nutrition quality, and their direct impact on health and homeostasis. Focusing on (-)-Epicatechin, a natural flavanol found in various foods like green tea and cocoa, known for its positive effects on cardiovascular health and diabetes prevention. The investigation encompasses the absorption, metabolism, and distribution of (-)-Epicatechin in the human body, revealing a diverse array of metabolites in the circulatory system. Notably, (-)-Epicatechin demonstrates an ability to activate nitric oxide synthase (eNOS) through the G protein-coupled estrogen receptor (GPER). While the precise role of GPER and its interaction with classical estrogen receptors (ERs) remains under scrutiny, the study employs computational methods, including density functional theory, molecular docking, and molecular dynamics simulations, to assess the physicochemical properties and binding affinities of key (-)-Epicatechin metabolites with GPER. DFT analysis revealed distinct physicochemical properties among metabolites, influencing their reactivity and stability. Rigid and flexible molecular docking demonstrated varying binding affinities, with some metabolites surpassing (-)-Epicatechin. Molecular dynamics simulations highlighted potential binding pose variations, while MMGBSA analysis provided insights into the energetics of GPER-metabolite interactions. The outcomes elucidate distinct interactions, providing insights into potential molecular mechanisms underlying the effects of (-)-Epicatechin across varied biological contexts.

Distinct tumor-TAM interactions in IDH-stratified glioma microenvironments unveiled by single-cell and spatial transcriptomics

Tumor-associated macrophages (TAMs) residing in the tumor microenvironment (TME) are characterized by their pivotal roles in tumor progression, antitumor immunity, and TME remodeling. However, a thorough comparative characterization of tumor-TAM crosstalk across IDH-defined categories of glioma remains elusive, likely contributing to mixed outcomes in clinical trials. We delineated the phenotypic heterogeneity of TAMs across IDH-stratified gliomas. Notably, two TAM subsets with a mesenchymal phenotype were enriched in IDH-WT glioblastoma (GBM) and correlated with poorer patient survival and reduced response to anti-PD-1 immune checkpoint inhibitor (ICI). We proposed SLAMF9 receptor as a potential therapeutic target. Inference of gene regulatory networks identified PPARG, ELK1, and MXI1 as master transcription factors of mesenchymal BMD-TAMs. Our analyses of reciprocal tumor-TAM interactions revealed distinct crosstalk in IDH-WT tumors, including ANXA1-FPR1/3, FN1-ITGAVB1, VEGFA-NRP1, and TNFSF12-TNFRSF12A with known contribution to immunosuppression, tumor proliferation, invasion and TAM recruitment. Spatially resolved transcriptomics further elucidated the architectural organization of highlighted communications. Furthermore, we demonstrated significant upregulation of ANXA1, FN1, NRP1, and TNFRSF12A genes in IDH-WT tumors using bulk RNA-seq and RT-qPCR. Longitudinal expression analysis of candidate genes revealed no difference between primary and recurrent tumors indicating that the interactive network of malignant states with TAMs does not drastically change upon recurrence. Collectively, our study offers insights into the unique cellular composition and communication of TAMs in glioma TME, revealing novel vulnerabilities for therapeutic interventions in IDH-WT GBM.

The The Influence Of Service Quality, Brand Trust And Customer Perceived Value On Costumer Satisfaction Study Of Amaris Hotel Customer In Indonesia

The hotel business can grow rapidly quantitatively by capturing the market in the tourism sector which continues to grow very rapidly. A hotel company will be able to compete and win market share if the hotel is able to provide good quality products and services. This study investigates the correlation between service quality, brand trust, customer perceived value, and their collective influence on customer satisfaction, focusing study of Amaris Hotel Indonesia. Drawing upon a comprehensive review of literature and employing a quantitative research approach, data were collected from a sample of hotel customers through structured surveys. Utilizing advanced statistical techniques such as regression analysis, the study examines the influence of service quality, brand trust, customer perceived value on customer satisfaction. Target included Amaris Hotel Indonesia customers. A total of 272 valid questionnaires were collected and verified with PASW Statistics 18. The conditions were: Service quality positive and significant impact on customer satisfaction. Brand trust has a positive and significant impact on customer satisfaction. Customer perceived value positive and significant impact on customer satisfaction. This indicates that customers who perceive higher service quality, exhibit greater trust in the hotel brand, and perceive greater value are more likely to be satisfied with their hotel experience. Additionally, this study reveals distinct interactions and moderation effects among these variables, highlighting the complex dynamics underlying customer satisfaction in the hospitality industry. These insights contribute to both theoretical understanding and practical implications for hotel managers seeking to enhance customer satisfaction in a highly competitive market environment.

Phylogenetic proximity drives temporal succession of marine giant viruses in a five-year metagenomic time-series.

Nucleocytoplasmic Large DNA Viruses (NCLDVs, also called giant viruses) are widespread in marine systems and infect a broad range of microbial eukaryotes (protists). Recent biogeographic work has provided global snapshots of NCLDV diversity and community composition across the world's oceans, yet little information exists about the guiding 'rules' underpinning their community dynamics over time. We leveraged a five-year monthly metagenomic time-series to quantify the community composition of NCLDVs off the coast of Southern California and characterize these populations' temporal dynamics. NCLDVs were dominated by Algavirales (Phycodnaviruses, 59%) and Imitervirales (Mimiviruses, 36%). We identified clusters of NCLDVs with distinct classes of seasonal and non-seasonal temporal dynamics. Overall, NCLDV population abundances were often highly dynamic with a strong seasonal signal. The Imitervirales group had highest relative abundance in the more oligotrophic late summer and fall, while Algavirales did so in winter. Generally, closely related strains had similar temporal dynamics, suggesting that evolutionary history is a key driver of the temporal niche of marine NCLDVs. However, a few closely-related strains had drastically different seasonal dynamics, suggesting that while phylogenetic proximity often indicates ecological similarity, occasionally phenology can shift rapidly, possibly due to host-switching. Finally, we identified distinct functional content and possible host interactions of two major NCLDV orders-including connections of Imitervirales with primary producers like the diatom Chaetoceros and widespread marine grazers like Paraphysomonas and Spirotrichea ciliates. Together, our results reveal key insights on season-specific effect of phylogenetically distinct giant virus communities on marine protist metabolism, biogeochemical fluxes and carbon cycling.

Other-correction and epistemic imbalances in teacher–student interactions

Other-correction is a ubiquitous phenomenon in language, and has been extensively studied in conversation analysis and pragmatics. Nevertheless, the conditions of its occurrence still remain unclear. Based on Heritage’s theory of epistemics, the study unveils four distinct epistemic interaction patterns in which other-correction takes place, and endeavours to elucidate their associations with trouble sources, correction strategies, and correction positions. Empirical findings indicate that different epistemic interaction patterns of other-correction exhibit no discernible link with trouble sources, but manifest a statistically significant correlation with correction strategies and correction positions.

How Do Substorms Influence Hemispheric Asymmetries in Equivalent Currents?

AbstractIonospheric dynamics exhibits a distinct hemispheric asymmetry, influenced primarily by the Interplanetary Magnetic Field (IMF) By component, dipole tilt, or a combination of both. Previous studies have indicated a reduction in these asymmetries during substorms. In this study, we conduct a superposed epoch analysis using ground magnetometer data from the northern hemisphere to examine the impact of substorms on ionospheric current asymmetry. This analysis uses the assumption of mirror symmetry between the northern and southern hemispheres when IMF By and dipole tilt are reversed. We observe a significant reduction in nightside equivalent current asymmetry indicating the IMF By and dipole tilt have minimal influence on the substorm current. On the other hand, we find that substorms exert minimal or negligible effects on dayside currents. This difference in response between nightside and dayside currents emphasizes the need to incorporate nightside dynamics into existing climatological models, which presently rely mainly on upstream parameters due to a lack of robust parameters effectively representing them. Our findings provide important insights for future modeling efforts, highlighting the distinct interactions between substorms and ionospheric currents across different hemispheric regions.

Divergent folding-mediated epistasis among unstable membrane protein variants.

Many membrane proteins are prone to misfolding, which compromises their functional expression at the plasma membrane. This is particularly true for the mammalian gonadotropin-releasing hormone receptor GPCRs (GnRHR). We recently demonstrated that evolutionary GnRHR modifications appear to have coincided with adaptive changes in cotranslational folding efficiency. Though protein stability is known to shape evolution, it is unclear how cotranslational folding constraints modulate the synergistic, epistatic interactions between mutations. We therefore compared the pairwise interactions formed by mutations that disrupt the membrane topology (V276T) or tertiary structure (W107A) of GnRHR. Using deep mutational scanning, we evaluated how the plasma membrane expression of these variants is modified by hundreds of secondary mutations. An analysis of 251 mutants in three genetic backgrounds reveals that V276T and W107A form distinct epistatic interactions that depend on both the severity and the mechanism of destabilization. V276T forms predominantly negative epistatic interactions with destabilizing mutations in soluble loops. In contrast, W107A forms positive interactions with mutations in both loops and transmembrane domains that reflect the diminishing impacts of the destabilizing mutations in variants that are already unstable. These findings reveal how epistasis is remodeled by conformational defects in membrane proteins and in unstable proteins more generally.

Divergent folding-mediated epistasis among unstable membrane protein variants

Many membrane proteins are prone to misfolding, which compromises their functional expression at the plasma membrane. This is particularly true for the mammalian gonadotropin-releasing hormone receptor GPCRs (GnRHR). We recently demonstrated that evolutionary GnRHR modifications appear to have coincided with adaptive changes in cotranslational folding efficiency. Though protein stability is known to shape evolution, it is unclear how cotranslational folding constraints modulate the synergistic, epistatic interactions between mutations. We therefore compared the pairwise interactions formed by mutations that disrupt the membrane topology (V276T) or tertiary structure (W107A) of GnRHR. Using deep mutational scanning, we evaluated how the plasma membrane expression of these variants is modified by hundreds of secondary mutations. An analysis of 251 mutants in three genetic backgrounds reveals that V276T and W107A form distinct epistatic interactions that depend on both the severity and the mechanism of destabilization. V276T forms predominantly negative epistatic interactions with destabilizing mutations in soluble loops. In contrast, W107A forms positive interactions with mutations in both loops and transmembrane domains that reflect the diminishing impacts of the destabilizing mutations in variants that are already unstable. These findings reveal how epistasis is remodeled by conformational defects in membrane proteins and in unstable proteins more generally.

Tailoring Cu-SiO2 Interaction through Nanocatalyst Architecture to Assemble Surface Sites for Furfural Aqueous-Phase Hydrogenation to Cycloketones.

In this contribution, nanocatalysts with rather diverse architectures were designed to promote different intimacy degrees between Cu and SiO2 and consequently tune distinct Cu-SiO2 interactions. Previously synthesized copper nanoparticles were deposited onto SiO2 (NPCu/SiO2) in contrast to ordinarily prepared supported Cu/SiO2. NPCu@SiO2 and SiO2@Cu core-shell nanocatalysts were also synthesized, and they were all bulk and surface characterized by XRD, TGA, TEM/HRTEM, H2-TPR, XANES, and XPS. It was found that Cu0 is the main copper phase in NPCu/SiO2 while Cu2+ rules the ordinary Cu/SiO2 catalyst, and Cu0 and electron-deficient Cuδ+ species coexist in the core-shell nanocatalysts as a consequence of a deeper metal-support interaction. Catalytic performance could not be associated with the physical properties of the nanocatalysts derived from their architectures but was associated with the more refined chemical characteristics tuned by their design. Cu/SiO2 and NPCu/SiO2 catalysts led to the formation of furfuryl alcohol, evidencing that catalysts holding weak or no metal-support interaction have no significant impact on product distribution even in the aqueous phase. The establishment of such interactions through advanced catalyst architecture, allowing the formation of electron-deficient Cuδ+ moieties, particularly Cu2+ and Cu+ as unveiled by spectroscopic investigations, is critical to promoting the hydrogenation-ring rearrangement cascade mechanism leading to cycloketones.

Genome-scale community modelling elucidates the metabolic interaction in Indian type-2 diabetic gut microbiota

Type-2 diabetes (T2D) is a rapidly growing multifactorial metabolic disorder that induces the onset of various diseases in the human body. The compositional and metabolic shift of the gut microbiota is a crucial factor behind T2D. Hence, gaining insight into the metabolic profile of the gut microbiota is essential for revealing their role in regulating the metabolism of T2D patients. Here, we have focused on the genome-scale community metabolic model reconstruction of crucial T2D-associated gut microbes. The model-based analysis of biochemical flux in T2D and healthy gut conditions showed distinct biochemical signatures and diverse metabolic interactions in the microbial community. The metabolic interactions encompass cross-feeding of short-chain fatty acids, amino acids, and vitamins among individual microbes within the community. In T2D conditions, a reduction in the metabolic flux of acetate, butyrate, vitamin B5, and bicarbonate was observed in the microbial community model, which can impact carbohydrate metabolism. The decline in butyrate levels is correlated with both insulin resistance and diminished glucose metabolism in T2D patients. Compared to the healthy gut, an overall reduction in glucose consumption and SCFA production flux was estimated in the T2D gut environment. Moreover, the decreased consumption profiles of branch chain amino acids (BCAAs) and aromatic amino acids (AAAs) in the T2D gut microbiota can be a distinct biomarker for T2D. Hence, the flux-level analysis of the microbial community model can provide insights into the metabolic reprogramming in diabetic gut microbiomes, which may be helpful in personalized therapeutics and diet design against T2D.

Two distinct early Paleozoic subduction zones in the eastern Central Asian Orogenic Belt: Evidence of subduction recycling and arc evolution

This paper presents zircon U–Pb dating and Hf isotopic, and whole-rock geochemical and Sr–Nd isotopic data for early Paleozoic igneous rocks as well as zircon U–Pb dating for the sedimentary rocks of the Songnen Massif within the eastern Central Asian Orogenic Belt (CAOB), aiming to reveal arc magma evolution process. The zircon U–Pb dating results of the siltstone of the Xiaojingou Formation yielded 450 Ma, 471 Ma, 502 Ma, 773 Ma, 818 Ma and 949 Ma age peaks, as well as multi-episodic Paleo-proterozoic ages (2486-1612 Ma), implying its deposition time is younger than ∼ 450 Ma. The zircon U–Pb dating results reveal that the Songnen Massif exists three episodes of volcanic rocks of the middle Cambrian (502 Ma), Middle Ordovician (453-449 Ma) and the Silurian (435-420 Ma). The middle Cambrian basalts are low-K tholeiitic to calc-alkaline series, weakly depleted εHf(t) and εNd(t) values. They were derived from the weakly depleted mantle metasomatized by slab fluid in an immature island arc setting. The Middle Ordovician to Silurian volcanic rocks show SiO2 of 49.4–58.1 wt%, plotting into high-K calc-alkaline series, which are also featured by higher Th/Nd and (Hf/Sm)PM ratios, together with moderate depleted εNd(t) values, suggesting their derivation of the depleted mantle wedge metasomatized by sediment-derived melt. In contrast, coeval early Paleozoic volcanic rocks in the eastern Xing’an Massif with the MORB-like εNd(t) values are characterized by an origin of the depleted mantle wedge and the distinct interaction of oceanic crust melt and mantle peridotite. Combined with the variation of calculated crust thickness, we suggested that there was a continental arc in the eastern Songnen Massif, which developed from immaturity to maturity during middle Cambrian to Silurian, while the early Paleozoic island arc in the eastern Xing’an Massif is characterized by ocean ridge subduction process.

The quantum perfect fluid in 2D

We consider the field theory that defines a perfect incompressible 2D fluid. One distinctive property of this system is that the quadratic action for fluctuations around the ground state features neither mass nor gradient term. Quantum mechanically this poses a technical puzzle, as it implies the Hilbert space of fluctuations is not a Fock space and perturbation theory is useless. As we show, the proper treatment must instead use that the configuration space is the area preserving Lie group {S\mathrm{Diff}}SDiff. Quantum mechanics on Lie groups is basically a group theory problem, but a harder one in our case, since {S\mathrm{Diff}}SDiff is infinite dimensional. Focusing on a fluid on the 2-torus T^2T2, we could however exploit the well known result {S\mathrm{Diff}}(T^2)\sim SU(N)SDiff(T2)∼SU(N) for N\to ∞N→∞, reducing for finite NN to a tractable case. SU(N)SU(N) offers a UV-regulation, but physical quantities can be robustly defined in the continuum limit N\to∞N→∞. The main result of our study is the existence of ungapped localized excitations, the vortons, satisfying a dispersion \omega \propto k^2ω∝k2 and carrying a vorticity dipole. The vortons are also characterized by very distinctive derivative interactions whose structure is fixed by symmetry. Departing from the original incompressible fluid, we constructed a class of field theories where the vortons appear, right from the start, as the quanta of either bosonic or fermionic local fields.

Correlation Between Antimicrobial Structural Classes and Membrane Partitioning: Role of Emerging Lipid Packing Defects

In this study, a combination of bioinformatics and molecular dynamics simulations is employed to investigate the partitioning behavior of different classes of antimicrobial peptides (AMPs) into model membranes. The main objective is to identify any correlations between the structural characteristics of AMPs and their membrane identification and early-stage partitioning mechanisms. The simulation results reveal distinct membrane interactions among the various structural classes of AMPs, particularly in relation to the generation and subsequent interaction with lipid packing defects. Notably, AMPs with a structure-less coil conformation generate a higher number of deep and shallow defects, which are larger in size compared to other classes of AMPs. AMPs with helical component demonstrated the deepest insertion into the membrane. On the other hand, AMPs with a significant percentage of beta sheets tend to adsorb onto the membrane surface, suggesting a potentially distinct partitioning mechanism attributed to their structural rigidity. These findings highlight the diverse membrane interactions and partitioning mechanisms exhibited by different structural classes of AMPs.Graphical abstract

Angiogenesis related genes based prognostic model of glioma patients developed by multi-omics approach

IntroductionGlioma, particularly glioblastoma (GBM), is a highly malignant brain tumor with poor prognosis despite current therapeutic approaches. The tumor microenvironment (TME), plays a crucial role in glioma progression by promoting invasion and drug resistance. Angiogenesis, the formation of new blood vessels, is a tightly regulated process involving endothelial cell activation, proliferation, and migration. In cancer, angiogenesis becomes dysregulated, leading to excessive blood vessel formation.MethodsWe enrolled bulk data of TCGA-LGG/GBM, CGGA-693, and CGGA-325 cohorts, scRNA data of GSE162631, GSE84465, and GSE138794 cohorts. Identification of malignant cells was conducted by “copycat” R package. The “AUCell” R package scored the activity of target gene set of each single cell. Consensus clustering was applied using the “ConsensusClusterPlus” R package, while tumor-infiltrating immune cells were determined using “IOBR” R package. To construct a prognostic model, we used LASSO and multiCOX algorithms based on the expression levels of the 15 hub genes, the efficacy of which was verified by KM and ROC analysis.ResultsWe identified 4 different malignant cell subclusters in glioma and disclosed their distinct gene expression patterns and interactions within TME. We identified differentially expressed immune-related genes (DE-ARGs) in glioma and found 15 genes that were specifically expressed in the malignant glioma cell populations. Glioma cells with higher expression of these DE-ARGs were associated with gliogenesis, glial cell development, and vasculature development. We found that tumor-infiltrating monocytes were the main interacting cell type within glioma TME. Using the expression patterns of the 15 screened DE-ARGs, we categorized glioma samples into 2 molecular clusters with distinct immune features, suggesting a possible relationship between angiogenesis and immune activation and recruitment. We constructed a prognostic model based on the expression levels of the 15 DE-ARGs and evaluated its predictive ability for glioma patient outcomes, which displayed exceedingly high efficacy.ConclusionWe characterized different malignant cell subclusters in glioma and investigate their gene expression patterns and interactions within TME. We constructed a prognostic model based on the expression levels of the 15 DE-ARGs and evaluated its predictive ability for glioma patient outcomes, which displayed exceedingly high efficacy.

Deep learning guided design of dynamic proteins.

Deep learning has greatly advanced design of highly stable static protein structures, but the controlled conformational dynamics that are hallmarks of natural switch-like signaling proteins have remained inaccessible to de novo design. Here, we describe a general deep-learning-guided approach for de novo design of dynamic changes between intra-domain geometries of proteins, similar to switch mechanisms prevalent in nature, with atom-level precision. We solve 4 structures validating the designed conformations, show microsecond transitions between them, and demonstrate that the conformational landscape can be modulated by orthosteric ligands and allosteric mutations. Physics-based simulations are in remarkable agreement with deep-learning predictions and experimental data, reveal distinct state-dependent residue interaction networks, and predict mutations that tune the designed conformational landscape. Our approach demonstrates that new modes of motion can now be realized through de novo design and provides a framework for constructing biology-inspired, tunable and controllable protein signaling behavior de novo.

Preparation and characterization of poly(butylene adipate‐co‐terephthalate) composites reinforced with acetylated cellulose nanocrystals and nanofibers for enhanced properties

AbstractNanocellulose‐reinforced composites hold great promise for outperforming the original polymer matrix by offering exceptional properties, including outstanding barrier characteristics achieved through the establishment of convoluted pathways for the diffusion of water vapor and gases, as well as superior mechanical and thermal properties. Nevertheless, a significant challenge when employing nanocelluloses as reinforcements in polymers arises from their limited compatibility with the polymer matrix, primarily attributed to the abundance of surface hydroxyl groups.To address this limitation, this study focuses on the acetylation modification of cellulose nanocrystals (CNC) and nanofibers (CNF) to enhance their compatibility with the polymer matrix. Poly(butylene adipate‐co‐terephthalate) (PBAT) nanocomposites were developed by incorporating 1 wt% of both untreated and acetylated cellulose. The process involved the molten state mixing of these components using a twin‐screw mini extruder, conducted at 160°C for 7 min. The efficacy of the acetylation process was verified through Fourier transform infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) analysis confirmed the favorable interaction and dispersion of nanocelluloses within the polymer matrix. Importantly, introducing these fillers did not compromise thermal stability but notably enhanced the hydrophobic characteristics of the samples, as confirmed by contact angle measurements. Dynamic mechanical analyses further demonstrated the compatibility and effective interaction between the polymer and fillers. This research uniquely provides a comparative analysis of the effects of acetylated CNC and CNF within a PBAT matrix, unveiling distinct interactions and performance enhancements. Each type of nanocellulose exhibits its own characteristic ways of bonding and dispersing, leading to varying performance improvements for the material. This comparison elucidates the nuanced roles that these nanocelluloses play in reinforcing composites, offering insights into optimizing their contribution to polymer matrices. By demonstrating the differential impact of CNC and CNF post‐acetylation, our study contributes significantly to the field of polymer science, guiding future applications of nanocellulose‐reinforced materials in advanced engineering and sustainability efforts.

Insight into the Mechanism of CO2 Chemical Fixation into Epoxides by Windmill-Shaped Polyoxovanadate and n-Bu4NX (X = Br, I).

Carbon dioxide (CO2) coupled with epoxide to generate cyclic carbonate stands out in carbon neutrality due to its 100% atom utilization. In this work, the mechanism of CO2 cycloaddition with propylene oxide (PO) cocatalyzed by windmill-shaped polyoxovanadate, [(C2N2H8)4(CH3O)4VIV4VV4O16]·4CH3OH (V8-1), and n-Bu4NX (X = Br, I) was thoroughly investigated using density functional theory (DFT) calculations. The ring-opening, CO2-insertion, and ring-closing steps of the process were extensively studied. Our work emphasizes the synergistic effect between V8-1 and n-Bu4NX (X = Br, I). Through the analysis of an independent gradient model based on Hirshfeld partition (IGMH), it was found that the attack of n-Bu4NX (X = Br, I) on Cβ of PO triggers a distinct attractive interaction between the active fragment and the surrounding framework, serving as the primary driving force for the ring opening of PO. Furthermore, the effect of different cocatalysts was explored, with n-Bu4NI being more favorable than n-Bu4NBr. Moreover, the role of V8-1 in the CO2 cycloaddition reaction was clarified as not only acting as Lewis acid active sites but also serving as "electron sponges". This work is expected to advance the development of novel catalysts for organic carbonate formation.

Interaction analysis of RNA G-quadruplex with ligands and in situ imaging application

RNA G4, as an integral branch of G4 structure, possesses distinct interactions with ligands compared to the common DNA G4, thus the investigation of RNA G4/ligand interactions might be considered as a fresh breakthrough to improve the biosensing performance of G4/ligand system. In this study, we comparatively explored the structural and functional mechanisms of RNA G4 and DNA G4 in the interaction with ligands, hemin and thioflavin T (ThT), utilizing the classical PS2.M sequence as a model. We found that although the catalytic performance of RNA G4/hemin system was lower than DNA G4/hemin, RNA G4/ThT fluorescence system exhibited a significant improvement (2∼3-fold) compared to DNA G4/ThT, and adenine modification could further enhance the signaling. Further, by exploring the interaction between RNA G4 and ThT, we deemed that RNA G4 and ThT were stacked in a bimolecular mode compared to single-molecule binding of DNA G4/ThT, thus more strongly limiting the structural spin in ThT excited state. Further, RNA G4/ThT displayed higher environmental tolerance and lower ion dependence than DNA G4/ThT. Finally, we employed RNA G4/ThT as a highly sensitive label-free fluorescent signal output system for in situ imaging of isoforms BCR-ABL e13a2 and e14a2. Overall, this study successfully screened a high-performance RNA G4 biosensing system through systematic RNA G4/ligands interaction studies, which was expected to provide a promising reference for subsequent G4/ligand research.