Molecular Force Research Articles

The Theory of the Surface Wettability Angle in the Formation of an Oil Film in Internal Combustion Piston Engines.

In internal combustion piston engines, the formation of an oil film is completely different from that seen in industrial machines. The molecular adhesion force at the interface between the surface coating of engine parts and the lubricating oil determines the load-carrying capacity and the ability to form a lubricated film. The geometry of the lubricating wedge between the surfaces of the piston rings and the cylinder wall is created by the thickness of the oil film and the height of the ring's coverage with lubricating oil. This condition is affected by many of the parameters that characterize the engine's operation and the physical and chemical parameters of the coatings used for the cooperating pairs. For lubricant particles that reach energies that are higher than the potential energy barrier regarding adhesive attraction at the interface, slippage occurs. Therefore, the value of the contact angle of the liquid on the surface of the coating depends on the value of the intermolecular force of attraction. According to the current author, there is a strong relationship between the contact angle and the lubrication effect. The paper shows that the surface potential energy barrier is a function of the contact angle and contact angle hysteresis (CAH). The innovation of the current work consists in examining the contact angle and CAH under the conditions of thin layers of lubricating oil, in cooperation with hydrophilic and hydrophobic coatings. The thickness of the lubricant film was measured under various speed and load conditions, using optical interferometry. The study shows that CAH is a better interfacial parameter for correlation with the effect of hydrodynamic lubrication. This paper presents the mathematical relationships relating to a piston engine, various coatings, and lubricants.

Dietary palmitoleic acid reprograms gut microbiota and improves biological therapy against colitis

ABSTRACT Magnitude and diversity of gut microbiota and metabolic systems are critical in shaping human health and diseases, but it remains largely unclear how complex metabolites may selectively regulate gut microbiota and determine health and diseases. Here, we show that failures or compromised effects of anti-TNF-α therapy in inflammatory bowel diseases (IBD) patients were correlated with intestinal dysbacteriosis with more pro-inflammatory bacteria, extensive unresolved inflammation, failed mucosal repairment, and aberrant lipid metabolism, particularly lower levels of palmitoleic acid (POA). Dietary POA repaired gut mucosal barriers, reduced inflammatory cell infiltrations and expressions of TNF-α and IL-6, and improved efficacy of anti-TNF-α therapy in both acute and chronic IBD mouse models. Ex vivo treatment with POA in cultured inflamed colon tissues derived from Crohn’s disease (CD) patients reduced pro-inflammatory signaling/cytokines and conferred appreciable tissue repairment. Mechanistically, POA significantly upregulated the transcriptional signatures of cell division and biosynthetic process of Akkermansia muciniphila, selectively increased the growth and abundance of Akkermansia muciniphila in gut microbiota, and further reprogrammed the composition and structures of gut microbiota. Oral transfer of such POA-reprogrammed, but not control, gut microbiota induced better protection against colitis in anti-TNF-α mAb-treated recipient mice, and co-administration of POA with Akkermansia muciniphila showed significant synergistic protections against colitis in mice. Collectively, this work not only reveals the critical importance of POA as a polyfunctional molecular force to shape the magnitude and diversity of gut microbiota and therefore promote the intestinal homeostasis, but also implicates a new potential therapeutic strategy against intestinal or abenteric inflammatory diseases.

Gel Properties and Structural Characteristics of Composite Gels of Soy Protein Isolate and Silver Carp Protein.

Problems with silver carp protein (SCP) include a strong fishy odor, low gel strength of SCP surimi, and susceptibility to gel degradation. The objective of this study was to improve the gel quality of SCP. The effects of the addition of native soy protein isolate (SPI) and SPI subjected to papain-restricted hydrolysis on the gel characteristics and structural features of SCP were studied. The β-sheet structures in SPI increased after papain treatment. SPI treated with papain was crosslinked with SCP using glutamine transaminase (TG) to form a composite gel. Compared with the control, the addition of modified SPI increased the hardness, springiness, chewiness, cohesiveness, and water-holding capacity (WHC) of the protein gel (p < 0.05). In particular, the effects were most significant when the degree of SPI hydrolysis (DH) was 0.5% (i.e., gel sample M-2). The molecular force results demonstrated that hydrogen bonding, disulfide bonding, and hydrophobic association are important molecular forces in gel formation. The addition of the modified SPI increases the number of hydrogen bonds and the disulfide bonds. Scanning electron microscopy (SEM) analysis showed that the papain modifications allowed the formation of a composite gel with a complex, continuous, and uniform gel structure. However, the control of the DH is important as additional enzymatic hydrolysis of SPI decreased TG crosslinking. Overall, modified SPI has the potential to improve SCP gel texture and WHC.

The effect of novel tyrosine-modified polyethyleneimines on human albumin structure – Thermodynamic and spectroscopic study

The interaction of proteins with nanoparticle components are crucial for the evaluation of nanoparticle function, toxicity and biodistribution. Polyethyleneimines (PEIs) with defined tyrosine modifications are a class of novel polymers designed for improved siRNA delivery. Their interactions with biomacromolecules are still poorly described. This paper analyzes the interaction of different tyrosine-modified PEIs with human serum albumin as the most abundant serum protein. The ability of tyrosine modified, linear or branched PEIs to bind human serum albumin (HSA) was analyzed and further characterized. The interaction with hydrophobic parts of protein were studied using 1- nilinonaphthalene-8-sulfonic acid (ANS) and changes in the HSA secondary structure were evaluated using circular dichroism (CD). Complex formation and sizes were studied by transmission electron microscopy (TEM) and dynamic light scattering methods (DLS). We demonstrate that tyrosine modified PEIs are able to bind human serum albumin. Based on thermodynamic studies, van der Waals interaction, H-bonding and hydrophobic interactions are determined as main molecular forces involved in complex formation. Analysis of secondary structures revealed that the polymers decreased α-helix content, while increasing levels of randomly folded structures. Complex formation was confirmed by TEM and DLS. These findings are crucial for understanding polymer-protein interactions and the properties of nanoparticles.

DNA Nanotechnology for Investigating Mechanical Signaling in the Immune System.

Immune recognition occurs at specialized cell-cell junctions when immune cells and target cells physically touch. In this junction, groups of receptor-ligand complexes assemble and experience molecular forces that are ultimately generated by the cellular cytoskeleton. These forces are in the range of piconewton (pN) but play crucial roles in immune cell activation and subsequent effector responses. In this minireview, we will review the development of DNA based molecular tension sensors and their applications in mapping and quantifying mechanical forces experienced by immunoreceptors including T-cell receptor (TCR), Lymphocyte function-associated antigen (LFA-1), and the B-cell receptor (BCR) among others. In addition, we will highlight the use of DNA as a mechanical gate to manipulate mechanotransduction and decipher how mechanical forces regulate antigen discrimination and receptor signaling.

DNA Nanotechnology for Investigating Mechanical Signaling in the Immune System

AbstractImmune recognition occurs at specialized cell‐cell junctions when immune cells and target cells physically touch. In this junction, groups of receptor‐ligand complexes assemble and experience molecular forces that are ultimately generated by the cellular cytoskeleton. These forces are in the range of piconewton (pN) but play crucial roles in immune cell activation and subsequent effector responses. In this minireview, we will review the development of DNA based molecular tension sensors and their applications in mapping and quantifying mechanical forces experienced by immunoreceptors including T‐cell receptor (TCR), Lymphocyte function‐associated antigen (LFA‐1), and the B‐cell receptor (BCR) among others. In addition, we will highlight the use of DNA as a mechanical gate to manipulate mechanotransduction and decipher how mechanical forces regulate antigen discrimination and receptor signaling.

Molecular Dynamics of Drying-Induced Structural Transformations in a Single Nanocellulose.

Nanocellulose is attracting attention in the field of materials science as a sustainable building block. Nanocellulose-based materials, such as films, membranes, and foams, are fabricated by drying colloidal dispersions. However, little is known about how the structure of a single nanocellulose changes during the complex drying process. Here, all-atom molecular dynamics simulations and atomic force microscopy is used to investigate the structural dynamics of single nanocellulose during drying. It is found that the twist morphology of the nanocellulose became localized along the fibril axis during the final stage of the drying process. Moreover, it is shown that conformational changes at C6 hydroxymethyl groups and glycoside bond is accompanied by the twist localization, indicating that the increase in the crystallinity occurred in the process. It is expected that the results will provide molecular insights into nanocellulose structures in material processing, which is helpful for the design of materials with advanced functionalities.

High intrinsic thermal conductive polymer films by engineered interchain hydrogen bond interactions

AbstractA series of polyvinyl alcohol (PVA) composite films containing different hydrogen bond acceptors 4,4′‐dihydroxydiphenyl (BP), 1,1′‐biphenyl‐4,4′‐diyl dihexanoate (DHB) and benzene‐1,3,5‐triyl tribenzoate (TBB) were prepared by casting method. Due to the existence of strong intermolecular interaction, the highest in‐plane thermal conductivity of the above films is 1.298 Wm−1 K−1, which is about 65% higher than pure PVA films. Fourier Transform infrared spectroscopy (FT‐IR) and wide‐angle X‐ray diffraction (WXAD) demonstrated that the TBB acts as a thermal bridge to enhance the internal interaction force and make the internal structure more regular. Strong molecular contact forces were demonstrated by mechanical tensile testing. The thermal expansion rate of the system was explored through molecular dynamics. Thermal expansion experiments proved that hydrogen bond can effectively reduce the free volume. Molecular dynamics simulations were also performed in this work. The number and density of hydrogen bonds inside different polymers were calculated, and the phonon thermal transport was quantitatively analyzed. The thermal bridge and intermolecular contact force were discovered to effectively restrict the molecular chain's activity and reduce its free volume. The results of the experiments and molecular dynamics reveal that strong intermolecular interactions and thermal bridges can significantly improve polymer intrinsic thermal conductivity.

Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes.

Peptoids (N-substituted glycines) are a group of highly controllable peptidomimetic polymers. Amphiphilic diblock peptoids have been engineered to assemble crystalline nanospheres, nanofibrils, nanosheets, and nanotubes with biochemical, biomedical, and bioengineering applications. The mechanical properties of peptoid nanoaggregates and their relationship to the emergent self-assembled morphologies have been relatively unexplored and are critical for the rational design of peptoid nanomaterials. In this work, we consider a family of amphiphilic diblock peptoids consisting of a prototypical tube-former (Nbrpm6Nc6, a NH2-capped hydrophobic block of six N-((4-bromophenyl)methyl)glycine residues conjugated to a polar NH3(CH2)5CO tail), a prototypical sheet-former (Nbrpe6Nc6, where the hydrophobic block comprises six N-((4-bromophenyl)ethyl)glycine residues), and an intermediate sequence that forms mixed structures ((NbrpeNbrpm)3Nc6). We combine all-atom molecular dynamics simulations and atomic force microscopy to determine the mechanical properties of the self-assembled 2D crystalline nanosheets and relate these properties to the observed self-assembled morphologies. We find good agreement between our computational predictions and experimental measurements of Young's modulus of crystalline nanosheets. A computational analysis of the bending modulus along the two axes of the planar crystalline nanosheets reveals bending to be more favorable along the axis in which the peptoids stack by interdigitation of the side chains compared to that in which they form columnar crystals with π-stacked side chains. We construct molecular models of nanotubes of the Nbrpm6Nc6 tube-forming peptoid and predict a stability optimum in good agreement with experimental measurements. A theoretical model of nanotube stability suggests that this optimum is a free energy minimum corresponding to a "Goldilocks" tube radius at which capillary wave fluctuations in the tube wall are minimized.

Benchmarking Molecular Dynamics Force Fields for All-Atom Simulations of Biological Condensates.

Proteins containing intrinsically disordered regions are integral parts of the cellular signaling pathways and common components of biological condensates. Point mutations in the protein sequence, genetic at birth or acquired through aging, can alter the properties of the condensates, marking the onset of neurodegenerative diseases such as ALS and dementia. While the all-atom molecular dynamics method can, in principle, elucidate the conformational changes that arise from point mutations, the applications of this method to protein condensate systems is conditioned upon the availability of molecular force fields that can accurately describe both structured and disordered regions of such proteins. Using the special-purpose Anton 2 supercomputer, we benchmarked the efficacy of nine presently available molecular force fields in describing the structure and dynamics of a Fused in sarcoma (FUS) protein. Five-microsecond simulations of the full-length FUS protein characterized the effect of the force field on the global conformation of the protein, self-interactions among its side chains, solvent accessible surface area, and the diffusion constant. Using the results of dynamic light scattering as a benchmark for the FUS radius of gyration, we identified several force fields that produced FUS conformations within the experimental range. Next, we used these force fields to perform ten-microsecond simulations of two structured RNA binding domains of FUS bound to their respective RNA targets, finding the choice of the force field to affect stability of the RNA-FUS complex. Taken together, our data suggest that a combination of protein and RNA force fields sharing a common four-point water model provides an optimal description of proteins containing both disordered and structured regions and RNA-protein interactions. To make simulations of such systems available beyond the Anton 2 machines, we describe and validate implementation of the best performing force fields in a publicly available molecular dynamics program NAMD. Our NAMD implementation enables simulations of large (tens of millions of atoms) biological condensate systems and makes such simulations accessible to a broader scientific community.

Thermodynamically Favorable Interactions between eIF4E Binding Domain of eIF4GI with Structured 5'-Untranslated Regions Drive Cap-Independent Translation of Selected mRNAs.

During cellular stress conditions, particularly those seen in multiple cancers, canonical cap-dependent translation is suppressed and a subset of cellular mRNAs (e.g., those encoding FGF-9, HIF-1α, and p53, among others) is known to translate in a cap-independent manner. Human eIF4GI specifically binds to the highly structured 5'-untranslated regions (5'UTRs) of these mRNAs to promote cap-independent translation. The thermodynamics of these protein-RNA interactions have not been explored, and such information will aid in understanding the basic interactions and in potential design of therapeutic drugs. Using fluorescence quenching-based assays and site-directed mutagenesis, we determined the thermodynamic properties of three eIF4GI constructs binding to the 5'UTRs of FGF-9, HIF-1α, and p53 mRNA. These three constructs were designed to explore the importance of the eIF4E binding domain of eIF4GI, which has been shown to be important in binding and selectivity. eIF4GI557-1599, containing the eIF4E binding domain, had higher binding enthalpy (-21 to -14 kJ mol-1 higher), suggesting increased hydrogen bonding, whereas for eIF4GI682-1599 lacking the eIF4E binding domain, binding was entropically favored (TΔS/ΔG of 46-85%), suggesting hydrophobic forces and/or less specific binding. A third construct where a cluster of positively charged amino acids was changed to neutral amino acids showed intermediate properties. Circular dichroism spectra confirmed the significant role of eIF4E binding domain in stable bond formation between eIF4GI and mRNAs via conformational changes. Together, these data contribute to a better understanding of the molecular forces involved in eIF4GI-mRNA recognition and elucidate properties important for the design of small molecules to mediate these interactions.

Pore-scale modelling of water sorption in nanopore systems of shale

Water vapor sorption in nanoporous media with complex pore structures, like shale, is not well understood. To address this, a pseudopotential lattice Boltzmann method (LBM) is developed to investigate water sorption behavior. The LBM model incorporates long-range molecular forces using a modified Shan-Chen model based on the Carnahan-Starling equation of state. The simulation results show that the presence of water films in nanopores can create a liquid pressure difference of up to 100 MPa between confined and free states. The adsorption theories based on simple pore shapes are not applicable to nanoporous systems with complex pore geometries. Additionally, when the relative humidity exceeds 1, water vapor condenses inside hydrophobic nanostructures while being attracted by neighboring liquid, leading to cluster formation. In water-wet nanoporous media, capillary condensation occurs progressively from small throats to large pores, and the sorption curves vary smoothly with pressure variation. In mixed-wet nanoporous media, the sorption curves exhibit no hysteresis in the early desorption stage, where the adsorption and desorption processes occur in the region around the hydrophobic particles and are reversible. Overall, this study provides valuable insights into water sorption behavior in nanopore systems of shale and sets the foundation for modelling liquid-vapor distribution in nanoporous media at the pore scale.

The Science of Adhesion Insights to Understanding Adhesive Performance

The continued integration of smaller, higher-functioning devices in the Aerospace, Defense &amp; Space sectors is making it more challenging than ever to minimize assembly failure, especially where reliability is top priority and fail-safe processes, and materials are the standard. Assembly failures due to poor adhesive bonding tend to linger causing excessive manufacturing downtime, scrap, costly rework, and delays. This paper introduces the science behind adhesion. Regardless of the application, the market or the adhesive technology being used, such as epoxy, silicone, urethane, paste or film, achieving a proper assembly bond is critical for application success. Adhesion is achieved via two mechanisms, mechanical and chemical bonding. To optimize this the adhesive must flow (or wet) across the substrate. This maximizes the interaction between the adhesive and substrate allowing flow into microscopic substrate pores for enhanced mechanical bonding as well as interaction between adhesive and substrate for chemical bonding. The molecular force of attraction between an adhesive and the substrate is determined by the surface energy of the substrates. The substrate surface energy influences the ability of the adhesive to flow and wet the substrate impacting adhesion. Measuring substrate water contact angle is an easy method to determine the relative surface energy thereby gaining information about the pending adhesive bond. This paper reviews these key factors for adhesion and presents results of an application study aimed at understanding the sensitivity and relationship of substrate water contact angle versus substrate cleanliness. The goal is to be able to use substrate water contact angle measurements as a predictive tool for adhesion.

Synthetic consortium of Ganoderma lucidum and Lactobacillus plantarum for enhanced natural products biosynthesis

Microbial coculture holds immense promise for biomanufacturing. Herein, we designed a synthetic consortium of G. lucidum and L. plantarum for enhanced natural product biosynthesis. The spatio-temporal alignment of the strains revealed an implicit disposition for transient and long-term mutualistic co-existence in the shared environment. The consortium assembly and biomass growth were driven by an intuitive toggle-switching of carbon/nitrogen sources and TOR signaling. Extracellular electron transfer propelled by redox shuttles facilitated the distribution of high-energy electrons and enhanced the consortium's robustness. The ROS-scavenging activity of antioxidant enzymes maintained the cells' viability via intracellular ROS removal. The CAT, GPX, and APX enzymes catalyzed the reduction of H2O2 to H2O and O2, thereby protecting the cells against the toxic effects of ROS. Small-signaling molecules stimulated the biosynthesis of bioactive natural products in the coculture. Over-expression of target genes further enhanced ganoderic acids and exopolysaccharides bioproduction in the coculture system. The study provides insight into the physicochemical and molecular forces that drive cooperative interaction and stimulate natural product biosynthesis in G. lucidum and L. planatarum consortium.

Ring-and-Lock Interactions in Self-Healable Styrenic Copolymers.

Commodity copolymers offer many useful applications, and their durability is critical in maintaining desired functions and retaining sustainability. These studies show that primarily alternating styrene/n-butyl acrylate [p(Sty/nBA)] copolymers self-heal without external intervention when monomer molar ratios are within the 45:55-53:47 range. This behavior is attributed to the favorable interchain interactions between aliphatic nBA side groups being sandwiched by aromatic rings forming ring-and-lock associations driven by pi-sigma-pi (π-σ-π) interactions. Guided by molecular dynamics (MD) simulations combined with spectroscopic and thermomechanical analysis, the ring-and-lock interchain van der Waals forces between π orbitals of aromatic rings and sigma components of aliphatic side groups are responsible for self-healing. Despite the frequent occurrence of these interactions in biological systems (proteins, nucleic acids, lipids, and polysaccharides), these largely unexplored weak and ubiquitous molecular forces between the soft acid aliphatic and soft base aromatic electrons may be valuable assets in the development of polymeric materials with sustainable properties.

Seal materials in flexible plastic food packaging: A review

AbstractFlexible packaging has many advantages in the food industry, arising from low weight, formability, multilayer complexity and cost. Heat sealing is a very efficient technique to close flexible food packaging. Currently, many thermoplastic materials are used in seal layers. A seal can be formed when these materials are heated and brought into contact; thereafter, polymer chains diffuse across the seal interface and entangle. Hydrogen bonds, polar and ionic interactions are molecular forces that can come into play, depending on the thermoplastic materials that are used in the seal layer. Bonds between identical polymers, referred to as autohesion, are formed in pouch applications (e.g., horizontal and vertical form‐fill‐seal packages). In lidding applications, the flexible film is sealed to a rigid cup, tray or bottle, whereby bonds can be formed between non‐identical polymers because the materials are often provided by different suppliers. All heat seal technologies imply heating of seal layers but differ in the heating principle. In the food industry and in most scientific seal studies, the seals of mono‐ and multilayered packaging are mainly formed by conductive heating. Recently, the use of emerging technologies, such as ultrasonic and laser heating, is increasingly described in recent papers. Applied seals are characterized by strength after a specified cooling time. Immediately after heating, this strength is referred to as hot tack. A good seal performance is crucial to guarantee food safety and quality. Besides strength, tightness is important to prevent food degradation, caused by microorganisms and external gases, and to keep aromatic gases inside the package. This review aims to give a literature overview that can support stakeholders in the food industry to improve and optimize the material selection in flexible packaging, in order to obtain seals with desired tightness and strength. Heat seal studies on materials and seal technology of flexible food packaging, such as pouches and lidding films, are considered. Scientific data are categorized from a materials' perspective, based on chemical structure, which is revealed by chemical and thermal analysis. A majority of the seal studies is categorized in a first section on polyolefins as seal layers. The following sections describe the seal functionality of (i) ethylene copolymers, such as ionomers; and (ii) polyesters, such as poly (ethylene terephthalate), pol (lactic acid) and poly (butylene succinate). The role of plasticizers, fillers and other additives in the seal performance is also described. Finally, material properties, such as chain length and melting temperature (Tm), as underlying causes of seal performance, are summarized.

Influence of Moisture Content and Dry Density on the Compressibility of Disturbed Loess: A Case Study in Yan’an City, China

Loess is a kind of soil that experiences a long period of deposition, and it is relatively stable under natural conditions. However, in the process of engineering construction in loess areas, the original soil structures of the loess are destroyed, inducing changes in the composition and water content in the loess. These changes may cause different environmental and engineering geologic problems. To reveal the engineering properties of disturbed losses in the Chinese Loess Plateau, the physical properties of 135 groups of disturbed loess samples in Yan’an City were analyzed statistically, and the compression properties of loess with different moisture contents and dry densities were studied by high-pressure consolidation experiments. We elucidate the compressive deformation law for perturbed solids at different moisture contents and dry densities. The experimental results show that the water content rate for the best compaction performance of the disturbed loess is 16%. The compressive deformation coefficient generally decreases with increasing dry density and water content. However, when the soil moisture is low, a small amount of water and salt is concentrated in the contact position of the powder, and the soluble salt is condensed into cement. The molecular forces between particles and the bonding forces of bound water and capillary water are larger. The soil forms a porous structure with coarse grains as the main skeleton, and the cement bonding strength is strong at the contact points of the coarse grains. As a result, the loess shows high intensity at low-water content. This results in a compression-deformation coefficient that increases with dryness density in the small load range.

Mitochondria-Directing Fluorogenic Probe: An Efficient Amyloid Marker for Imaging Lipid Metabolite-Induced Protein Aggregation in Live Cells and Caenorhabditis elegans.

The design and development of optical probes for sensing neurotoxic amyloid fibrils are active and important areas of research and are undergoing continuous advancements. In this paper, we have synthesized a red emissive styryl chromone-based fluorophore (SC1) for fluorescence-based detection of amyloid fibrils. SC1 records exceptional modulation in its photophysical properties in the presence of amyloid fibrils, which has been attributed to the extreme sensitivity of its photophysical properties toward the immediate microenvironment of the probe in the fibrillar matrix. SC1 also shows very high selectivity toward the amyloid-aggregated form of the protein as compared to its native form. The probe is also able to monitor the kinetic progression of the fibrillation process, with comparable efficiency as that of the most popular amyloid probe, Thioflavin-T. Moreover, the performance of SC1 is least sensitive to the ionic strength of the medium, which is an advantage over Thioflavin-T. In addition, the molecular level interaction forces between the probe and the fibrillar matrix have been interrogated by molecular docking calculations which suggest the binding of the probe to the exterior channel of the fibrils. The probe has also been demonstrated to sense protein aggregates from the Aβ-40 protein, which is known to be responsible for Alzheimer's disease. Moreover, SC1 exhibited excellent biocompatibility and exclusive accumulation at mitochondria which allowed us to successfully demonstrate the applicability of this probe to detect mitochondrial-aggregated protein induced by an oxidative stress indicator molecule 4-hydroxy-2-nonenal (4-HNE) in A549 cell lines as well as in a simple animal model like Caenorhabditis elegans. Overall, the styryl chromone-based probe presents a potentially exciting alternative for the sensing of neurotoxic protein aggregation species both in vitro as well as in vivo.

In-Depth Insight into the Mechanism of Incorporation of Abelmoschus manihot Gum on the Enhancement of Gel Properties and In Vitro Digestibility of Frankfurters.

This study aimed to investigate the effects of different concentrations (0.1, 0.2, 0.3, 0.4, and 0.5% w/w) of Abelmoschus manihot gum (AMG) on the gel properties and in vitro digestibility of frankfurters. The results indicated that AMG incorporation significantly enhanced the emulsion stability and texture of frankfurters, as well as the dynamic rheological characteristics of raw meat batter, with the optimal concentration being 0.3% (p < 0.05). Furthermore, hydrogen bonds and disulphide bonds were the main molecular forces of the frankfurters in the presence of AMG. Microstructural images showed that more uniform and dense microstructures of frankfurters were formed due to AMG supplementation. In addition, AMG incorporation significantly increased the in vitro protein digestibility of frankfurters as the level of addition increased (p < 0.05). In conclusion, our results provided critical information for the practical application of AMG in the production of emulsified meat products.

Inferring equilibrium transition rates from nonequilibrium protocols

We develop a theory for inferring equilibrium transition rates from trajectories driven by a time-dependent force using results from stochastic thermodynamics. Applying the Kawasaki relation to approximate the nonequilibrium distribution function in terms of the equilibrium distribution function and the excess dissipation, we formulate a nonequilibrium transition state theory to estimate the rate enhancement over the equilibrium rate due to the nonequilibrium protocol. We demonstrate the utility of our theory in examples of pulling of harmonically trapped particles in one and two dimensions, as well as a semiflexible polymer with a reactive linker in three dimensions. We expect our purely thermodynamic approach will find use in both molecular simulation and force spectroscopy experiments.