Mechanism Of Complex Formation Research Articles

The convolutional neural network for Pacific decadal oscillation forecast

Abstract The Pacific Decadal Oscillation (PDO) is often described as a long-lived El Niño-like pattern of Pacific climate variability, and it has widespread climate and ecosystem impacts. PDO forecasts can provide useful information for policymakers on how to handle PDO impacts. Nevertheless, due to the long duration of the PDO cycles and their complex formation mechanisms, it remains a challenge to predict long lead time PDO. In this paper, we propose a transfer-learning-enhanced Convolutional Neural Network (CNN) to tackle complex ocean dynamic forecasting and predict PDO events with up to a one-year lead time. Our method first trains the CNN on historical simulations from Coupled Model Intercomparison Project 6 (CMIP6), covering the period from 1850 to 1972. This prior knowledge is then refined by further training the model with observational data from 1854 to 1972, ensuring robust performance on unseen data. Additionally, k-fold cross-validation is also employed to evaluate the model's performance across diverse subsets of data, enhancing its reliability. Throughout the testing phase from 1983 to 2022, the CNN model consistently outperforms existing dynamical forecast systems, exhibiting superior correlation skills in predicting annual mean PDO indices and PDO phases, including displaying resilience to seasonal variations. The transferred CNN is thus a powerful method to predict PDO events and is potentially valuable for a wide range of applications. This work directly supports the objectives of the World Climate Research Programme (WCRP) Grand Challenge on Climate Prediction.

Origin of the intermolecular forces that produce donor–acceptor stacks in π-conjugated charge-transfer complexes

The attraction between π-conjugated planar electron donor and acceptor molecules that form many stable charge-transfer (CT) complexes has been explained by quantum chemical CT interactions, although the fundamental origin remains unclear. Here, we demonstrate the mechanism of CT complex formation by potential energy map analysis for TTF–CA and BTBT–TCNQ, using energy decomposition of intermolecular interaction by symmetry-adapted perturbation theory (SAPT) combined with coupled cluster calculation. We find that the source of attraction between donor and acceptor molecules is ascribed primarily to the dispersion force and also to the electrostatic force. In contrast, the contribution of CT interactions to the attractive forces is minimal. We demonstrate that the highly directional feature of the exchange repulsion force, coupled with the attractive dispersion and electrostatic forces, is crucial in determining the intermolecular arrangements of actual CT crystals. These findings are key for understanding the unique structural and electronic properties of π-conjugated CT complexes.

Mechanisms of Copper Selectivity and Release by the Metallochaperone CusF: Insights from CO-Binding, Rapid-Freeze-Quench EXAFS, and Unnatural Amino Acid Substitution.

Metallochaperones are small proteins that shuttle essential metal ions such as Cu selectively to their cellular targets. CusF has unusual Cu(I) coordination, bound by two methionines, one histidine and a capping tryptophan residue, W44. Here we compare the CO binding reactivity of the wild type (WT) protein and its W44A, F, and M variants. Fourier-transform infrared (FTIR) indicates that W44A provides unhindered access for CO, while W44M is unreactive. WT is also largely unreactive to CO suggesting that the tryptophan cap is effective in shielding the Cu(I) center from exogenous adduct formation, while the Phe variant shows partial reactivity suggestive of an equilibrium between cap-on and cap-off conformers. Rates of metal transfer to the partner CusB are consistent with the π-cation cap providing both selectivity and redox protection. Unnatural amino acid substitutions of the W44 ligand with cyano-Phe and Br-Phe underpin the conclusion that the Phe ligand is a less effective capping residue. Finally, density functional theory (DFT) calculations validate the CO-binding strategy. Overall, the study suggests that CusF uses the tryptophan cap to protect against exogenous ligand (O2) attack while the mechanism of protein-protein complex formation allows the cap to swing out of the way, and thus have minimal effect on the rates of metal transfer.

The structure of the IL-11 signalling complex provides insight into receptor variants associated with craniosynostosis.

Interleukin 11 (IL-11), a member of the IL-6 family of cytokines, has roles in haematopoiesis, inflammation, bone metabolism, and craniofacial development. IL-11 also has pathological roles in chronic inflammatory diseases, fibrosis, and cancer. In this structural snapshot, we explore our recently published cryo-EM structure of the human IL-11 signalling complex to understand the molecular mechanisms of complex formation and disease-associated mutations. IL-11 signals by binding to its cell surface receptors, the IL-11 receptor α subunit (IL-11Rα) and glycoprotein 130 (gp130), to form a hexameric signalling complex. We examine the locations within the complex of receptor sequence variants that are associated with craniosynostosis and craniosynostosis-like phenotypes and speculate on potential molecular mechanisms leading to defects in signalling function. While these causative amino acid sequence changes in IL-11Rα are generally distal to interfaces between components of the complex, important structural residues are highly represented, including proline residues, cysteine residues involved in disulfide bonds, and residues within or surrounding the tryptophan-arginine ladder. We also note the locations and potential effects of amino acid substitutions within the extracellular domains of gp130 that are associated with craniosynostosis. As focus on the physiological and pathological functions of IL-11 grows, the importance of high-resolution structural knowledge of IL-11 signalling to understand disease-associated mutations and to inform therapeutic strategies will only increase.

Study on Quantum Dynamics of the Na + Na2 Exchanged Reaction and Lifetime Prediction of Na3 Complex Based on the Neural Network Potential Energy Surface.

A high-precision global potential energy surface (PES) is constructed for the Na3 system based on high-level ab initio calculations and the fundamental invariant neural network (FI-NN) method. The root-mean-square error (RMSE) of the PES is 2.88 cm-1. The state-resolved quantum dynamics of the ground-state Na + Na2 (v = 0, j = 0) → Na2 (v', j') + Na reaction is studied using the time-dependent wave packet (TDWP) method on the new PES. Analysis of the relevant integral cross sections revealed a complicated energy-transfer mechanism during collisions. Similarly, the characteristics of the differential cross sections indicate that the complex-forming mechanism plays a dominant role in the reaction, providing conditions for a comprehensive exploration of the lifetimes of the complexes. Based on the Rice-Ramsperger-Kassel-Marcus (RRKM) theory, the calculated lifetime of the Na3 complex is approximately 3.9 ns.

Combining SWAT with Machine Learning to Identify Primary Controlling Factors and Their Impacts on Non-Point Source Pollution

Non-point source (NPS) pollution has a complex formation mechanism, and identifying its primary controlling factors is crucial for effective pollution treatment. In this study, the Baixi Reservoir Watershed, characterized by low-intensity development, was selected as the study area. A new methodology combining the Soil and Water Assessment Tool (SWAT) with the Random Forest (RF) algorithm was proposed to comprehensively identify the primary controlling factors of NPS pollution and analyze the interaction between factors. The results of the validated SWAT model showed that the annual intensity of total nitrogen (TN) load range was 0.677–11.014 kg ha−1 yr−1, and the total phosphorus (TP) load per unit area range was 0.020–0.110 kg ha−1 yr−1. Loads of sediment, TP, and TN exhibited significant seasonal variations, particularly in the Baixi basin, where sediment yield had the highest absolute change rate, with a value of up to 232.26. Random Forest models for TN and TP displayed high accuracy (R2 > 0.99) and robust generalization ability. Fertilization, sediment yield, and terrain slope were identified through RF models as the primary factors affecting TN and TP. By graphing partial dependency plots (PDPs) based on the results of the RF models to analyze the interaction between factors, the findings suggest a strong synergistic effect of two combined factors: fertilization and sediment yield. When fertilizer application exceeds 15 kg ha−1 yr−1 and sediment yield exceeds 3 kg ha−1 yr−1, there is a sharp increase in nitrogen and phosphorus load. Through the identification and analysis of the primary controlling factors of NPS pollution, this study provides a solid scientific foundation for developing effective watershed management strategies.

Construction and characteristics of EGCG-porcine serum albumin pickering emulsion: Based on noncovalent interactions mechanism

Pickering emulsion prepared by the interaction between polyphenols and protein can improve the stability of protein-based emulsion. The purpose of this study was to explore the complex formation mechanism of epigallocatechin gallate (EGCG)-porcine serum albumin (PSA) complex and the preparation of food-grade Pickering emulsion. By the UV and fluorescence spectral analysis, it was found that EGCG has an obvious fluorescence quenching effect on PSA, mainly static quenching. The results of synchronous, three-dimensional fluorescence and FT-IR spectroscopy showed that the hydrophobic microenvironment of aromatic amino acids and the secondary structure of PSA changed after EGCG was added. The results of molecular docking examined that EGCG and PSA form more stable complexes due to hydrogen bonds, and the binding energy was −4.43 kcal /mol. Compared with the PSA emulsion, the successfully prepared EGCG-PSA Pickering emulsion had smaller droplets and no obvious color in CLMS. The Pickering emulsion of EGCG-PSA had strong emulsification and high viscosity, which belonged to pseudoplastic non-Newtonian fluid. In addition, the free fatty acids release rate of EGCG-PSA Pickering emulsion was decreased by 9.9 %. The antioxidant performance of the EGCG-PSA Pickering emulsion was improved, and the DPPH radical scavenging rate and the ABTS+ radical scavenging rate reached the highest, which were 93.72 % and 57.16 % respectively. This study provides important insights into the interaction between EGCG and PSA, and a reference for the development of polyphenol-protein complex Pickering emulsion in food, medicine, cosmetics, and other fields.

Functional failure analysis of the graphite crystallizer used in horizontal continuous casting process of copper tube

The presence of a particular type of white powder has emerged as a significant challenge in the horizontal continuous casting process of copper. This white powder leads to the blockage of the graphite crystallizer, resulting in a functional failure that adversely affects the mold’s lifespan, increases production costs, and reduces overall efficiency. The issue has posed significant challenges for engineers due to its complex and unclear formation mechanism. This investigation employed various experimental characterization methods to analyze the composition, element distribution, phase properties, and other relevant factors of the white powder. Meanwhile, a high-temperature experiment was also designed to examine the potential reactions between copper oxide (Cu2O) and the furnace lining (3Al2O3·2SiO2). It is found that the main component of the white powder blocking the inlet hole of the graphite mold is SiO2, which is traced back to the furnace lining. Under high temperatures, oxygen reacts with liquid copper to form Cu2O. Subsequently, this Cu2O reacts with Al2O3 in the furnace lining to produce CuAlO2. Meanwhile, SiO2 becomes isolated as Al2O3 is deprived. The resultant SiO2 accumulates at the inlet hole of the graphite mold due to rapid cooling. The accumulated SiO2 in the form of white powder blocks the inlet hole of the graphite mold, leading to functional failure of the graphite mold. To address this issue, several improvement measures are proposed including drying the raw and protective material, enhancing the sealing of the furnace, and reducing the holding time.

Ab Initio Neural Network Potential Energy Surface and Quantum Dynamics Calculations on Na(2S) + H2 → NaH + H Reaction.

The collisions between Na atoms and H2 molecules are of great significance in the field of chemical reaction dynamics, but the corresponding dynamics results of ground-state reactions have not been reported experimentally or theoretically. Herein, a global and high-precision potential energy surface (PES) of NaH2 (12A') is constructed by the neural network model based on 21,873 high-level ab initio points. On the newly constructed PES, the quantum dynamics calculations on the Na(2S) + H2(v0 = 0, j0 = 0) → NaH + H reaction are carried out using the time-dependent wave packet method to study the microscopic reaction mechanism at the state-to-state level. The calculated results show that the low-vibrational products are mainly formed by the dissociation of the triatomic complex; whereas, the direct reaction process dominates the generation of the products with high-vibrational states. The reaction generally follows the direct H-abstraction process, and there is also the short-lived complex-forming mechanism that occurs when the collision energy exceeds the reaction threshold slightly. The PES could be used to further study the stereodynamics effects of isotope substitution and rovibrational excitations on the title reaction, and the presented dynamics data would provide an important reference on the corresponding experimental research at a higher level.

Elucidating the effects of hofmeister salts on the formation mechanism and biocompatibility of lysozyme-hyaluronic acid complexes

This study aimed to investigate the morphologies, biocompatibility, and formation mechanism of lysozyme-hyaluronic acid complexes in the presence of various Hofmeister salts. During the complexation of lysozyme (Lys) and hyaluronic acid (HA), salts can control the formation of colloidal nanoparticles, amyloid-like aggregates, and amorphous aggregates. Circular dichroism spectra revealed that the α-helix content of Lys involved in complexation significantly increased from 21.40 % to 34.19 %, whereas the β-sheet content significantly decreased from 38.65 % to 24.42 % with increasing salt concentration. The fluorescence spectra indicated that the number of binding sites for HA and Lys decreased from 2.19 to 0.63 as the salt concentration increased from 0 to 300 mM, which was consistent with the different anion-specific effects (NaCl < NaBr < NaI). Interestingly, in vitro experiment results demonstrated that colloidal nanoparticles and amorphous aggregates have good biocompatibility, with NCM460 cell viability exceeding 85.92 %, whereas amyloid like aggregates exhibit certain cytotoxicity, with cell viability significantly reduced to 50.47 %. Overall, these findings provide a better understanding of the conformational changes of Lys involved in complexation with HA in the presence of salts, expanding its application in the food and pharmaceutical industries.

Seasonal variation and size distribution of aromatic acids in urban aerosols in Beijing, China

Aromatic acids are an integral component of organic acids in the atmosphere, contributing to the formation of climate-altering brown carbon (BrC). To better understand the sources and formation processes of aromatic acids, we collected size-segregated particulate matter samples in urban Beijing from April 2017 to January 2018, which were analyzed using solvent-extraction followed by gas chromatography/mass spectrometry. Phthalic acid (o-PhA) had the greatest average annual concentration, followed by terephthalic acid (p-PhA), 4-hydroxybenzoic acid (4-OHBA), dehydroabietic acid (DA), syringic acid (SA), 3-hydroxybenzoic acid (3-OHBA), isophthalic acid (m-PhA), and vanillic acid (VA). We identified distinct seasonal variations in aromatic acids, with o-PhA peaking in summer due to photochemical activity, while p-PhA and 4-OHBA elevated in autumn and summer, respectively, influenced by open waste and biomass burning. Wintertime variations in all aromatic acids were driven by complex meteorology and increased anthropogenic emissions, including rural biomass burning for cooking and heating. Particle size distribution of aromatic acids was affected by seasonal agricultural activities and dust storms, multiple emission sources, and formation mechanisms. The o-PhA has predominantly bimodal distribution, with diverse sources and complex formation mechanisms including gas- and aqueous-phase chemistry. The applicability of o-PhA as a tracer for specific secondary organic aerosols has been questioned due to its potential primary sources. The 3-OHBA, 4-OHBA, VA, SA, and DA exhibited bimodal or trimodal patterns during haze and non-haze periods across different particle size ranges. The seasonal variation in VA/SA and VA/4-OHBA ratios demonstrated the complexity of biomass burning types, influenced by season, particle size, meteorological conditions, and combustion sources.

Integrating strategy to investigate the formation and stabilization mechanisms of Curcumin-Cyclodextrin inclusion complexes: experimental characterizations and multi-scale computational simulations.

The Cyclodextrin (CD) encapsulation technology can significantly enhance the water solubility of Curcumin (CUR) and effectively protect it against chemical degradations. In the current study, a combination of experimental and multi-scale computational approaches was used to investigate the binding mechanism between CUR and β-CDs (β-CD, 2-HP-β-CD, Me-β-CD, and DM-β-CD). Phase solubility studies showed that β-CDs exhibited a strong binding affinity with CUR and significantly enhanced its solubility. SEM, PXRD, DSC, and TG analysis confirmed the formation of inclusion complexes, resulting in the transition of CUR from crystalline to an amorphous state. FTIR, 1H, and 13CNMR spectra deduced that CUR may have multiple binding conformations with β-CDs. The rationality of molecular dynamics simulation systems was confirmed by comparing the simulated IR spectrum from quantum mechanics with the experimental IR spectrum. MM-PBSA and umbrella sampling simulation calculated the binding free energy of the CUR/CD inclusion complexes, ranking Me-β-CD > DM-β-CD > 2-HP-β-CD > β-CD, and clarified that van der Waals interaction played a major role in stabilizing the inclusion complexes. RDF analysis confirmed that the release of high-energy water molecules drove the formation of the CUR/CD inclusion complex, and the β-CD substituents affected their exterior hydration layer. Additionally, principal component analysis (PCA) and non-covalent interaction analysis revealed three CUR/CD binding modes: bead-on-string, terminal insertion, and V-shaped-folding. The research strategy adopted here can serve as a paradigm for investigating the encapsulation mechanism of poorly soluble drugs with CDs.

Features of treatment tactics for some clinical and pathogenetic variants of gastroesophageal reflux disease

Relevance Gastroesophageal reflux disease is a disease that has a complex mechanism of formation, causing a variety of clinical and pathogenetic features, realised during the development of the pathological process. The variety of tactical and methodological solutions in its treatment is formed from this premise. Material and Methods The authors have 25 years of experience, which consists in direct participation in the diagnostic and therapeutic process in several thousand patients with gastroesophageal reflux, including several hundred patients with cylindrocellular metaplasia and Barrett’s oesophagus. Results Determination of indications for surgical treatment of complicated and uncomplicated gastroesophageal reflux disease is a complex and responsible decision. It is necessary to take into account: the nature and severity of cylindrocellular metaplasia, the size of axial hernia and its combination with insufficiency of cardiac jejunum, the severity of jejunal insufficiency and preservation of diaphragmatic constriction, the state of Gis angle, the type and severity of reflux - esophagitis, as well as the presence of irreversible changes in the mucosa to determine the indications for correction and surgical tactics. It is necessary to pay attention to the severity of clinical manifestations of the disease.

Phylogenomic instructed target analysis reveals ELAV complex binding to multiple optimally spaced U-rich motifs.

ELAV/Hu RNA-binding proteins are gene-specific regulators of alternative pre-mRNA processing. ELAV/Hu family proteins bind to short AU-rich motifs which are abundant in pre-mRNA, making it unclear how they achieve gene specificity. ELAV/Hu proteins multimerize, but how multimerization contributes to decode degenerate sequence environments remains uncertain. Here, we show that ELAV forms a saturable complex on extended RNA. Through phylogenomic instructed target analysis we identify the core binding motif U5N2U3, which is repeated in an extended binding site. Optimally spaced short U5N2U3 binding motifs are key for high-affinity binding in this minimal binding element. Binding strength correlates with ELAV-regulated alternative poly(A) site choice, which is physiologically relevant through regulation of the major ELAV target ewg in determining synapse numbers. We further identify a stem-loop secondary structure in the ewg binding site unwound upon ELAV binding at three distal U motifs. Base-pairing of U motifs prevents ELAV binding, but N6-methyladenosine (m6A) has little effect. Further, stem-loops are enriched in ELAV-regulated poly(A) sites. Additionally, ELAV can nucleate preferentially from 3' to 5'. Hence, we identify a decisive mechanism for ELAV complex formation, addressing a fundamental gap in understanding how ELAV/Hu family proteins decode degenerate sequence spaces for gene-specific mRNA processing.

Exploring the Recognition Mechanism of Surfactant-Cyclodextrin Complex Formation: Insights from SPR Studies on Temperature and Ionic Liquid Influence.

This study examines the kinetics and thermodynamics of the inclusion complex (IC) formation between sodium dodecylbenzenesulfonate (SDBS) and amine-modified β-cyclodextrin (βCD-NH2) using surface plasmon resonance (SPR) and theoretical analysis. We determined a binding constant of 103 L mol-1 for the thermodynamically stable complex ([βCD-NH2/SDBS]°) within the temperature range of 285.2-301.2 K. The thermodynamic analysis revealed a transition from entropy-driven to enthalpy-driven behavior with increasing temperature. The rate constant for IC formation was approximately 102 M-1 s-1, with the residence time decreasing from 14.08 s at 285.2 K to 6.13 s at 301.2 K. We observed the formation of an activated complex ([βCD-NH2/SDBS]‡), with energetic parameters indicating temperature dependence. At 285.2 K, the activated enthalpy change was positive, while at 301.2 K, it was negative. The dissociation energetic parameters remained temperature-independent. Additionally, increasing concentrations of the ionic liquid 1-butyl-3-methylimidazolium chloride influenced the SDBS tail's conformation and penetration into the βCD-NH2 cavity at the activated state. These findings provide insights into the complexation mechanism and the effects of the temperature and ionic liquids on IC formation.

Hydrogeochemical Characteristics and Formation Processes of Ordovician Limestone Groundwater in Zhuozishan Coalfield, Northwest China

A comprehensive understanding of the characteristics and formation mechanisms of groundwater in mining areas is essential for the effective prevention of coal mine water and the rational management of groundwater resources. The objective of this study was to examine the hydrogeochemical characteristics and evolution of Ordovician groundwater in the Zhuozishan coal mine, located in the northwest region of China. A total of 34 groundwater samples were collected for hydrogeochemical analyses and the investigation of their evolution processes, with the aid of a piper trilinear diagram, a Gibbs diagram, and an ion ratio diagram. The results indicate that the concentration of sodium (Na+), potassium (K+), bicarbonate (HCO3−), chloride (Cl−), sulphate (SO42−), total dissolved solids (TDS), and pH increases from the recharge area to the discharge area, whereas the concentration of calcium (Ca2+) and magnesium (Mg2+) decreases. The hydrogeochemical characteristics of the runoff from Zhuozishan to Gongdeer coalfield and further southward display a notable north–south directional change. The groundwater process is primarily controlled by rock weathering action and cation exchange, with Na+ and K+ deriving primarily from cation exchange and only to a minor extent from halite dissolution. In conclusion, the northern part of the coalfield is characterised by a geological structure that creates a retention area with groundwater, resulting in an unordered runoff process with a complex formation mechanism. The middle region is devoid of geological constraints that would alter the flow direction, thus simplifying the process of groundwater formation. In contrast, the southern area experiences an increase in strata depth and fault blocking, which creates a retention zone, thereby rendering the groundwater formation process more complex. This research contributes to the effective management of groundwater resources in this coalfield and other mining sites.

Molecular architecture of coronavirus double-membrane vesicle pore complex

Coronaviruses remodel the intracellular host membranes during replication, forming double-membrane vesicles (DMVs) to accommodate viral RNA synthesis and modifications1,2. SARS-CoV-2 non-structural protein 3 (nsp3) and nsp4 are the minimal viral components required to induce DMV formation and to form a double-membrane-spanning pore, essential for the transport of newly synthesized viral RNAs3–5. The mechanism of DMV pore complex formation remains unknown. Here we describe the molecular architecture of the SARS-CoV-2 nsp3–nsp4 pore complex, as resolved by cryogenic electron tomography and subtomogram averaging in isolated DMVs. The structures uncover an unexpected stoichiometry and topology of the nsp3–nsp4 pore complex comprising 12 copies each of nsp3 and nsp4, organized in 4 concentric stacking hexamer rings, mimicking a miniature nuclear pore complex. The transmembrane domains are interdigitated to create a high local curvature at the double-membrane junction, coupling double-membrane reorganization with pore formation. The ectodomains form extensive contacts in a pseudo-12-fold symmetry, belting the pore complex from the intermembrane space. A central positively charged ring of arginine residues coordinates the putative RNA translocation, essential for virus replication. Our work establishes a framework for understanding DMV pore formation and RNA translocation, providing a structural basis for the development of new antiviral strategies to combat coronavirus infection.

Exploration of ETV6::ABL1-positive AML with concurrent NPM1 and FLT3-ITD mutations.

ETV6::ABL1 is a rare fusion gene that found in MPN, ALL, and AML. It has a complex and diverse formation mechanism due to the reciprocal orientations of the ETV6 and ABL1 genes relative to the centromeres. NPM1 is frequently mutated in adult AML, often accompanied by FLT3-ITD, which suggests molecular synergisms in AML pathogenesis. Previous reports on ETV6::ABL1 mostly focus on FLT3-ITD. In this study, we present a case of AML with ETV6::ABL1, along with NPM1 and FLT3-ITD. The patient showed a rapid increase in primitive cells at the initial stage, along with the presence of immature granulocytes and erythrocytes. Through cytogenetic analysis, fluorescence in situ hybridization (FISH), and RNA-seq, we elucidated the mechanism behind the formation of the ETV6::ABL1 fusion gene. Despite conventional chemotherapy failure and rapid tumor proliferation, we attempted to add FLT3 inhibitor sorafenib to the treatment, along with chemotherapy bridging to haploidentical transplantation. After haplo-HSCT, a combination of sorafenib and dasatinib was administered as maintenance therapy. The patient achieved complete remission (CR) and maintained it for 11 months. The intricate genetic landscape observed in this case presents diagnostic dilemmas and therapeutic challenges, emphasizing the importance of a comprehensive understanding of its implications for disease classification, risk stratification, and treatment selection.

Prediction model of grinding roughness for worm with complicated space tooth surface

Optimum grinding parameters are crucial for achieving high-quality grinding of helical tooth surfaces for worm drives. The complex coupling motion relationship and formation mechanism between the worm blank and the grinding head make it difficult to predict the effect of grinding parameters on tooth surface roughness. Therefore, we developed a prediction model for the worm tooth surface roughness under conjugate grinding and applied it to the Roller Enveloping Worm Reducer (REWR). The forming process of the theoretical worm tooth surface during the grinding process was modeled by using the conjugate meshing principle. Considering the plowing and cutting effects of grinding particles on the tooth surface at different design parameters, feed speeds, and rotational speeds of the grinding head, the roughness prediction equation was established based on the theory of the maximum depth of valley bottom. Through the coupling analysis of the theoretical tooth surface model and the roughness prediction model, the prediction of the worm tooth surface roughness is realized. Based on the validated model, the influences of grinding parameters on the worm tooth surface roughness of REWR were quantitatively discussed. This study is of great significance for optimizing process parameters in the grinding of complex spatial surface transmissions.

Microencapsulation of Lactobacillus sakei and Lactobacillus rhamnosus in whey protein isolate and sodium hyaluronate for potential food-grade probiotic delivery system

In this study, dairy protein (whey protein isolate, WPI) and dairy ingredients (sodium hyaluronate, SH) were selected as candidates for probiotic encapsulation, directly useable as starters for dairy products. The effects of different weight ratios of WPI and SH (1:0, 3:1, 1:1, 1:3, and 0:1) on the encapsulation of two probiotic strains were investigated. Characteristic properties and survival ability under low pH, bile salts, simulated gastrointestinal conditions, high temperatures, and freezing temperatures were determined. The highest encapsulation rates of Lb. sakei and Lb. rhamnosus were 98.48% and 86.59%, respectively. Differential Scanning Calorimetry (DSC) and Fourier Transform Infrared (FTIR) spectroscopy results showed that the interaction between WPI and SH via hydrophobic and hydrogen bonding increased thermal stability. Compared to free bacterial cells, the survival rate significantly increased at pH 2.0. Under simulated gastrointestinal conditions, Lb. sakei J15 was achieved the best protection with a with a 45.39% survival rate at a WPI:SH ratio of 3:1, whereas Lb. rhamnosus S8 also had a survival rate of 62.96% at the same ratio. At the highest experimental temperature (70 °C), Lb. sakei J15 had the highest survival rate of 31.95% at a WPI:SH ratio of 1:3, whereas Lb. rhamnosus S8 exhibited a 20.55% survival rate at the WPI:SH ratio of 3:1. Although different ratios exhibited varying properties, a WPI:SH ratio of 3:1 was the most effective for maintaining bacterial viability under external environmental conditions. These findings demonstrate a new probiotic delivery system and provide insights into the underlying mechanisms of complex formation and bacterial survival.