Liquid Condensation Research Articles

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Multiscale simulations reveal the driving forces of p53C phase separation accelerated by oncogenic mutations.

Liquid-Liquid phase separation (LLPS) of p53 to form liquid condensates has been implicated in cellular functions and dysfunctions. The p53 condensates may serve as amyloid fibril precursors to initiate p53 aggregation, which is associated with oncogenic gain-of-function and various human cancers. M237I and R249S mutations located in p53 core domain (p53C) have been detected respectively in glioblastomas and hepatocellular carcinoma. Interestingly, these p53C mutants can also undergo LLPS and liquid-to-solid phase transition, which are faster than wild type p53C. However, the underlying molecular basis governing the accelerated LLPS and liquid-to-solid transition of p53C remain poorly understood. Herein, we explore the M237I/R249S mutation-induced structural alterations and phase separation behavior of p53C by employing multiscale molecular dynamics simulations. All-atom simulations revealed conformational disruptions in the zinc-binding domain of the M237I mutant and in both loop3 and zinc-binding domain of the R249S mutant. The two mutations enhance hydrophobic exposure of those regions and attenuate intramolecular interactions, which may hasten the LLPS and aggregation of p53C. Martini 3 coarse-grained simulations demonstrated spontaneous phase separation of p53C and accelerated effects of M237I/R249S mutations on the phase separation of p53C. Importantly, we find that the regions with enhanced intermolecular interactions observed in coarse-grained simulations coincide with the disrupted regions with weakened intramolecular interactions observed in all-atom simulations, indicating that M237I/R249S mutation-induced local structural disruptions expedite the LLPS of p53C. This study unveils the molecular mechanisms underlying the two cancer-associated mutation-accelerated LLPS and aggregation of p53C, providing avenues for anticancer therapy by targeting the phase separation process.

One-pot template-free synthesis of metal-doped ETS-10 zeolites for Knoevenagel condensation of benzaldehyde with ethyl cyanoacetate

Three types of metal-doped ETS-10 zeolites including Ni-ETS-10, Al-ETS-10, and Ga-ETS-10 were successfully synthesized by one-pot template-free hydrothermal treatments. The effect of doping metals on the crystallinity, morphology, textural property, and basicity of the produced zeolites was systematically studied. It was found that doping with an appropriate amount of Ni could enhance the crystallinity and basicity of ETS-10 zeolites in comparison with Al and Ga, and the Ni species mainly existed in two forms of framework coordination and exchange site connection within Ni-ETS-10. The catalytic evaluation by the liquid Knoevenagel condensation reaction of benzaldehyde with ethyl cyanoacetate confirmed the superiority of ETS-10 and metal-doped ETS-10 in comparison with the contrast base zeolites of NaY and KY. And the 0.4Ni-ETS-10 catalyst exihibted the best performance with 75.6 % yield of ethyl ɑ-cyanocinnamate (ECC) among all the synthesized (metal-doped) ETS-10 zeolites. It is reasonable to expect that the demonstrated work has important implications for the design and facile synthesis of new-type high-performance base zeolite catalysts.

Interactions between Catalyst Layer Degradation and Liquid Water Distribution in Polymer Electrolyte Fuel Cells

Managing liquid water distribution in PEFCs is critical to desirable high power density operation and cell durability [1–3]. Degradation modes such as carbon corrosion in the cathode catalyst layer (CCL) are believed to depend on local humidification [2,4], while the distribution of liquid water may also be influenced by performance drop associated with such degradation [3]. Although some studies have shown the influence of carbon corrosion on liquid water distribution [2,3], the possible reverse effect of liquid water distribution on the CCL degradation requires further investigation.The objective of the present work is to establish a deeper understanding of the cause-and-effect interactions between CCL degradation and liquid water distribution. This is achieved experimentally by carrying out voltage-cycling accelerated stress tests (ASTs) on fuel cells which differ only in the constituent gas diffusion layers (GDLs); namely, SGL 22 BB and a proprietary Avcarb. Three-dimensional X-ray microscopy is used to observe both degradation effects and liquid water distribution at different stages of the ASTs. A relatively rapid operando two-dimensional visualization technique [5] was also used to investigate the differences in liquid water distribution between the two GDLs. The fuel cells imaged are analyzed and exhibit different liquid water distributions, whereby the Avcarb exhibits a higher liquid water condensation close to the CCL, compared to the SGL. Supported by model results, this difference in liquid water distribution is shown to be attributable to the different transport properties of the GDLs. The degradation results, such as the CCL thickness (Fig. 1) show that the Avcarb cell experiences a faster CCL degradation than the SGL cell. Furthermore, the Avcarb liquid water distribution is seen to change with increasing AST cycles in a manner indicating higher vapour phase removal. These results provide insights for GDL design consideration, showing that GDL transport properties may influence liquid water distribution at the electrode with important implications for CCL durability. Acknowledgement Funding for this research was provided by the Natural Sciences and Engineering Research Council of Canada,Ballard Power Systems, Canada Foundation for Innovation, British Columbia Knowledge Development Fund,and Canada Research Chairs.

Fluorescent protein tagging promotes phase separation and alters the aggregation pathway of huntingtin exon-1

Fluorescent protein tags are convenient tools for tracking the aggregation states of amyloidogenic or phase separating proteins, but the effect of the tags is often not well understood. Here, we investigated the impact of a C-terminal red fluorescent protein (RFP) tag on the phase separation of huntingtin exon-1 (Httex1), an N-terminal portion of the huntingtin protein that aggregates in Huntington's disease. We found that the RFP-tagged Httex1 rapidly formed micron-sized, phase separated states in the presence of a crowding agent. The formed structures had a rounded appearance and were highly dynamic according to electron paramagnetic resonance and fluorescence recovery after photobleaching, suggesting that the phase separated state was largely liquid in nature. Remarkably, the untagged protein did not undergo any detectable liquid condensate formation under the same conditions. In addition to strongly promoting liquid-liquid phase separation, the RFP tag also facilitated fibril formation, as the tag-dependent liquid condensates rapidly underwent a liquid-to-solid transition. The rate of fibril formation under these conditions was significantly faster than that of the untagged protein. When expressed in cells, the RFP-tagged Httex1 formed larger aggregates with different antibody staining patterns compared to untagged Httex1. Collectively, these data reveal that the addition of a fluorescent protein tag significantly impacts liquid and solid phase separations of Httex1 invitro and leads to altered aggregation in cells. Considering that the tagged Httex1 is commonly used to study the mechanisms of Httex1 misfolding and toxicity, our findings highlight the importance to validate the conclusions with untagged protein.

Investigating the effect of bio‐convection, chemical reaction, and motile microorganisms on Prandtl hybrid nanofluid flow across a stretching sheet

AbstractDue to extensive application in extruding plastic sheet processes, liquid film condensation, glass blowing, biopolymer cylinder coatings, paper manufacture, and other processes, the thermodynamical characteristics of non‐Newtonian fluids across stretched surfaces have acquired ubiquitous essence. Therefore, the present communication aims to openly elucidate Prandtl fluid flow characteristics produced by a stretching surface. In this analysis, a hybrid nanofluid (HNF) is considered by using pure water as a base fluid and two various nanomaterials (copper and Titanium dioxide) as nanoparticles in the characterization of heat transfer. Moreover, the goal of this investigation is to ascertain the heat transfer characteristics of a magnetohydrodynamic (MHD) Prandtl hybrid nanofluid (PHNF) model. Across the stretching sheet, this article interrogates the inclined MHD, chemical reaction, bio‐convection, linearly thermal radiation, and Darcy–Forchheimer (DF) effect in the attendance of porous medium of HNF. The modified Buongiorno model for nanofluids is adopted to explore heat transport augmentation. It includes the mechanics of nanoparticle random motion and thermo‐migration as well as useful nanofluid characteristics. Additionally, the outcomes are contrasted with nanofluid flow. With the right level of similarity, the process converts partial differential equations emerging in nanofluidic systems into nonlinear differential equation systems. The (FDM) finite difference approach (Lobatto IIIA) is used for the nonlinear nanofluid issue with the precision of order 4 to 5 and is implemented using a variety of collocation locations. The strength of (Lobatto IIIA) is its effectiveness in handling coupled differential equations that are extremely nonlinear. The higher‐order differential equations are converted into a first‐order method utilizing the boundary value dilemma (bvp4c) solver, which is part of the MATLAB software package, to computationally analyze the simplified mathematical model. The data obtained demonstrated a high degree of accuracy and symmetry when measured against previously published studies. Following earlier studies, increasing the values of the Prandtl parameters increases the velocity profiles of both basic nanofluid and HNF, while the Forchheimer and porosity parameters reduce fluid velocity. Additionally, as the values of the magnetic parameters increase, the temperature and concentration of simple and HNFs rise as well.

Использование отходов производств для сорбции токсичных газов

The purification of exhaust gases of some industries by solid wastes of other enterprises is promising and up-to-date in environmental protection. This paper presents the research results on purification of waste gases from ammonia and benzene by wastes from thermal power engineering (fly ash) and chemical industry (secondary polytetrafluoroethylene). Operation of heat power industry plants, which are powered by bituminous coal, results in producing fly ash which is to be stored in special ash ponds. Ash ponds occupy large areas and significantly burden the local ecosystem. Using ash in building, sound-absorbing, and heat insulating materials’ production reduces the volumes of ahs ponds. Fly ash can be used as a base for heterogeneous catalysts. Fly ash can also be used in zeolite production and for soil structure improvement. A number of studies provide positive results of wastewater treatment from oil products and heavy metal ions, as well as absorption of air sulfur(IV) oxide. We propose fly ash using as a sorbent for ammonia adsorbing from exhaust gases in nitric acid and nitrogen fertilizers production. The adsorbate can be applied as a fertilizer for acid soils. Secondary polytetrafluoroethylene is a co-product of polytetrafluoroethylene production. It can be converted into ultradisperse powder with particle sizes of 0.20–1.35 µm by method of exhaustive fluoridation; the powder applies to a sponge material. The resulting sorbent can be used to extract benzene vapors from the exhaust gases of industries using benzene, for example, as a solvent. Compared to activated carbon, the developed sorbent effectively removes benzene vapors from exhaust gases. Over time, the purification efficiency of heated gases decreases to almost zero. Presumably this is due to liquid benzene fraction condensation on the sorbent surface.

Liquid phase aldol condensation of formaldehyde and propionaldehyde catalyzed by L-proline functional polymers

Herein, an environmentally friendly and compositionally tunable proline-functional polymer was prepared by copolymerization of divinylbenzene (DVB) with L-proline functional monomer. The synthesized poly[DVB-(4-APCA)x]s were characterized by Powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), solid state 13C cross-polarization/magic angle spinning NMR (solid state 13C CP/MAS NMR), thermogravimetry-Mass (TG-MS). The combined characterization results elucidated the skeletal structure of the polymer. The proline-functional polymer was used as catalyst in the preparation of methacrolein (MAL) by liquid phase condensation of formaldehyde (FA) and propionaldehyde (PA), in which the conversion of PA is 73.3%, the selectivity of MAL is 85.6% and the yield of MAL is 62.8% under 0.1 g poly[DVB-(APCA)]s at 75 °C for 4 h when dimethyl sulfoxide (DMSO) is used as the solvent. Its catalytic performance did not degrade markedly after five cycles. Moreover, the kinetics of the condensation reaction was also studied using the isolation method.

Liquid-Liquid Phase Separation of the Intrinsically Disordered Domain of the Fused in Sarcoma Protein Results in Substantial Slowing of Hydration Dynamics.

Formation of liquid condensates plays a critical role in biology via localization of different components or via altered hydrodynamic transport, yet the hydrogen-bonding environment within condensates, pivotal for solvation, has remained elusive. We explore the hydrogen-bond dynamics within condensates formed by the low-complexity domain of the fused in sarcoma protein. Probing the hydrogen-bond dynamics sensed by condensate proteins using two-dimensional infrared spectroscopy of the protein amide I vibrations, we find that frequency-frequency correlations of the amide I vibration decay on a picosecond time scale. Interestingly, these dynamics are markedly slower for proteins in the condensate than in a homogeneous protein solution, indicative of different hydration dynamics. All-atom molecular dynamics simulations confirm that lifetimes of hydrogen-bonds between water and the protein are longer in the condensates than in the protein in solution. Altered hydrogen-bonding dynamics may contribute to unique solvation and reaction dynamics in such condensates.

Programmable de novo designed coiled coil-mediated phase separation in mammalian cells

Membraneless liquid compartments based on phase-separating biopolymers have been observed in diverse cell types and attributed to weak multivalent interactions predominantly based on intrinsically disordered domains. The design of liquid-liquid phase separated (LLPS) condensates based on de novo designed tunable modules that interact in a well-understood, controllable manner could improve our understanding of this phenomenon and enable the introduction of new features. Here we report the construction of CC-LLPS in mammalian cells, based on designed coiled-coil (CC) dimer-forming modules, where the stability of CC pairs, their number, linkers, and sequential arrangement govern the transition between diffuse, liquid and immobile condensates and are corroborated by coarse-grained molecular simulations. Through modular design, we achieve multiple coexisting condensates, chemical regulation of LLPS, condensate fusion, formation from either one or two polypeptide components or LLPS regulation by a third polypeptide chain. These findings provide further insights into the principles underlying LLPS formation and a design platform for controlling biological processes.

Phase behavior of gas condensate in fractured-vuggy porous media based on microfluidic technology and real-time computed tomography scanning

With the development of gas-condensate reservoirs, the phase behavior of gas condensate undergoes continuous changes. The phase behavior of gas condensate in PVT cylinders is different from that in fractured-vuggy gas-condensate reservoirs because multiscale pore structures can affect the phase behavior. By vuggy, we mean the formation of a reservoir contains cavity structures. To elucidate the influence of fractured-vuggy porous media on phase behavior of gas condensate, a microfluidic chip and a fractured-vuggy carbonate sample were prepared for pressure depletion experiments. The phase behavior of gas condensate in the chip during depressurization was observed via brightfield optical microscopy. The real-time computed tomography scanning was used to analyze pore structure of the sample and to obtain the phase behavior of gas condensate under different pressures. The results showed that the dew point pressure of the gas condensate was increased from 12.0 MPa in PVT cylinders to 14.8 MPa in nanochannels of the chip. The condensate liquid appeared in micropores at 14.4 MPa. The change of the average radius, coordination number, and tortuosity of condensate liquid ganglia were calculated and analyzed using pore network models. The shape factor and the Euler number were used to classify the condensate liquid into four types including clustered, branched, membranous, and droplets ganglia. The condensate liquid was generally distributed as clustered ganglia. This study provided evidence of the effect of fractured-vuggy porous media on phase behavior of gas condensate and clarified that the phase behavior of gas condensate varies in multi-scale pores.

Crude Oil Production

Current data on crude oil, field/lease condensate, and natural gas liquids produced from NGL plants. Updated on a monthly basis.

Analysis of prediction methods for non-equilibrium internal flow condensation heat transfer

Due to the climate crisis, there is a need to improve the performance of energy conversion systems and increase the use of renewable energy sources. In this context, accurate performance prediction methods for heat exchangers, including condensers, are of crucial importance. In the heat transfer process in a condenser including desuperheating and subcooling, both sensible and latent heat transfer may occur simultaneously due to thermal non-equilibrium effects. Liquid condensate may form close to the vapor saturation point of the bulk flow in the desuperheating region, while superheated vapor may penetrate beyond the liquid saturation point far into the two-phase region, and gas bubbles and subcooled mixture may exist in the subcooled region. These are complex phenomena that to a large extent affect the performance of the condenser. This paper presents an analysis of the prediction methods for non-equilibrium condensation heat transfer. First, the heat transfer mechanisms of non-equilibrium condensation are discussed. Next, state-of-the-art prediction methods developed for the target heat transfer processes are analyzed. Moreover, a database containing all data available in the open literature is built to evaluate the predictive performance of the prediction methods. Finally, a new prediction method is proposed for the subcooled condensation based on the identified heat transfer mechanisms. The results suggest that the Jacob correlation has the best predictive performance, followed by the Kondou correlation. The mean absolute percentage errors of both the Jacob and Kondou prediction methods are lower than 15 %, and more than 85 % of the experimental data points are predicted with a deviation within ± 30 %. The new prediction method proposed for the subcooled condensation is in good agreement with the experimental data, with a mean absolute percentage error of 12 %.

Numerical investigation of liquid mass fraction and condensation shock of wet-steam flow through convergence-divergence nozzle using strategic water droplets injection

Abstract Spontaneous condensation occurs due to high steam speeds, leading to droplets in the stream that not only decrease performance but also hazard the security of the nozzle. This study aims to predict the position and size of suitable injected water droplets due to reduced losses due to liquid mass fraction. Firstly, the model of steam flow has been confirmed by experimental data using the Eulerian–Eulerian approach in Moore’s nozzle B. Then, the flow turbulence caused by phase change is modelled by k–w sst model. Then, the injection has applied in three sizes (coarse, medium, and fine) at four different positions of the nozzle and has analysed, which according to the findings of fine droplet size, has led to an enhancement in Mach number and on the other hand, injection in nucleation zone has resulted in a 7 % and 3 % reduction in wetness losses for the radius of coarse and fine droplets, respectively. It is predicted that the nucleation rate will decrease the smaller the injected droplets are in the nucleation region. Injection with a number droplet of 1.015 × 1018 and a radius of 0.013 (μm) in the nucleation zone of 10 mm after the throat increased by 4.5 % of Mach number.

ATG9A regulates the dissociation of recycling endosomes from microtubules to form liquid influenza A virus inclusions.

It is now established that many viruses that threaten public health establish condensates via phase transitions to complete their lifecycles, and knowledge on such processes may offer new strategies for antiviral therapy. In the case of influenza A virus (IAV), liquid condensates known as viral inclusions, concentrate the 8 distinct viral ribonucleoproteins (vRNPs) that form IAV genome and are viewed as sites dedicated to the assembly of the 8-partite genomic complex. Despite not being delimited by host membranes, IAV liquid inclusions accumulate host membranes inside as a result of vRNP binding to the recycling endocytic marker Rab11a, a driver of the biogenesis of these structures. We lack molecular understanding on how Rab11a-recycling endosomes condensate specifically near the endoplasmic reticulum (ER) exit sites upon IAV infection. We show here that liquid viral inclusions interact with the ER to fuse, divide, and slide. We uncover that, contrary to previous indications, the reported reduction in recycling endocytic activity is a regulated process rather than a competition for cellular resources involving a novel role for the host factor ATG9A. In infection, ATG9A mediates the removal of Rab11a-recycling endosomes carrying vRNPs from microtubules. We observe that the recycling endocytic usage of microtubules is rescued when ATG9A is depleted, which prevents condensation of Rab11a endosomes near the ER. The failure to produce viral inclusions accumulates vRNPs in the cytosol and reduces genome assembly and the release of infectious virions. We propose that the ER supports the dynamics of liquid IAV inclusions, with ATG9A facilitating their formation. This work advances our understanding on how epidemic and pandemic influenza genomes are formed. It also reveals the plasticity of recycling endosomes to undergo condensation in response to infection, disclosing new roles for ATG9A beyond its classical involvement in autophagy.

Loss of ESRP2 Activates TAK1-MAPK Signaling through the Fetal RNA-Splicing Program to Promote Hepatocellular Carcinoma Progression.

Tumors usually display fetal-like characteristics, and many oncofetal proteins have been identified. However, fetal-like reprogramming of RNA splicing in hepatocellular carcinoma (HCC) is poorly understood. Here, it is demonstrated that the expression of epithelial splicing regulatory protein 2 (ESRP2), an RNA splicing factor, is suppressed in fetal hepatocytes and HCC, in parallel with tumor progression. By combining RNA-Seq with splicing analysis, it is identified that ESRP2 controls the fetal-to-adult switch of multiple splice isoforms in HCC. Functionally, ESRP2 suppressed cell proliferation and migration by specifically switching the alternative splicing (AS) of the TAK1 gene and restraining the expression of the fetal and oncogenic isoform, TAK1_ΔE12. Notably, aberrant TAK1 splicing led to the activation of p38MAPK signaling and predicted poor prognosis in HCC patients. Further investigation revealed that TAK1_ΔE12 protein interacted closely with TAB3 and formed liquid condensation in HCC cells, resulting in p38MAPK activation, enhanced cell migration, and accelerated tumorigenesis. Loss of ESRP2 sensitized HCC cells to TAK1 kinase inhibitor (TAK1i), promoting pyroptotic cell death and CD8+ T cell infiltration. Combining TAK1i with immune checkpoint therapy achieved potent tumor regression in mice. Overall, the findings reveal a previously unexplored onco-fetal reprogramming of RNA splicing and provide novel therapeutic avenues for HCC.

Novel Covalent Modifier-Induced Local Conformational Changes within the Intrinsically Disordered Region of the Androgen Receptor.

Intrinsically disordered regions (IDRs) of transcription factors play an important biological role in liquid condensate formation and gene regulation. It is thus desirable to investigate the druggability of IDRs and how small-molecule binders can alter their conformational stability. For the androgen receptor (AR), certain covalent ligands induce important changes, such as the neutralization of the condensate. To understand the specificity of ligand-IDR interaction and potential implications for the mechanism of neutralizing liquid-liquid phase separation (LLPS), we modeled and performed computer simulations of ligand-bound peptide segments obtained from the human AR. We analyzed how different covalent ligands affect local secondary structure, protein contact map, and protein-ligand contacts for these protein systems. We find that effective neutralizers make specific interactions (such as those between cyanopyrazole and tryptophan) that alter the helical propensity of the peptide segments. These findings on the mechanism of action can be useful for designing molecules that influence IDR structure and condensate of the AR in the future.

Fastchem cond: equilibrium chemistry with condensation and rainout for cool planetary and stellar environments

ABSTRACT Cool astrophysical objects, such as (exo)planets, brown dwarfs, or asymptotic giant branch stars, can be strongly affected by condensation. Condensation not only directly affects the chemical composition of the gas phase by removing elements but the condensed material also influences other chemical and physical processes in these objects. This includes, for example, the formation of clouds in planetary atmospheres and brown dwarfs or the dust-driven winds of evolved stars. In this study, we introduce fastchem cond, a new version of the fastchem equilibrium chemistry code that adds a treatment of equilibrium condensation. Determining the equilibrium composition under the impact of condensation is complicated by the fact that the number of condensates that can exist in equilibrium with the gas phase is limited by a phase rule. However, this phase rule does not directly provide information as to which condensates are stable. A major advantage of fastchem cond is its ability to automatically select the set stable condensates satisfying the phase rule. Besides the normal equilibrium condensation, fastchem cond can also be used with the rainout approximation that is commonly employed in atmospheres of brown dwarfs or (exo)planets. fastchem cond is available as open-source code, released under the GNU General Public Licence 3 (GPLv3). In addition to the c++ code, fastchem cond also offers a python interface. Together with the code update, we also add about 290 liquid and solid condensate species to fastchem.

Phase behavior of gas condensate in porous media using real-time computed tomography scanning

The phase behavior of gas condensate in reservoir formations differs from that in pressure–volume–temperature (PVT) cells because it is influenced by porous media in the reservoir formations. Sandstone was used as a sample to investigate the influence of porous media on the phase behavior of the gas condensate. The pore structure was first analyzed using computed tomography (CT) scanning, digital core technology, and a pore network model. The sandstone core sample was then saturated with gas condensate for the pressure depletion experiment. After each pressure-depletion state was stable, real-time CT scanning was performed on the sample. The scanning results of the sample were reconstructed into three-dimensional grayscale images, and the gas condensate and condensate liquid were segmented based on gray value discrepancy to dynamically characterize the phase behavior of the gas condensate in porous media. Pore network models of the condensate liquid ganglia under different pressures were built to calculate the characteristic parameters, including the average radius, coordination number, and tortuosity, and to analyze the changing mechanism caused by the phase behavior change of the gas condensate. Four types of condensate liquid (clustered, branched, membranous, and droplet ganglia) were then classified by shape factor and Euler number to investigate their morphological changes dynamically and elaborately. The results show that the dew point pressure of the gas condensate in porous media is 12.7 MPa, which is 0.7 MPa higher than 12.0 MPa in PVT cells. The average radius, volume, and coordination number of the condensate liquid ganglia increased when the system pressure was between the dew point pressure (12.7 MPa) and the pressure for the maximum liquid dropout, Pmax (10.0 MPa), and decreased when it was below Pmax. The volume proportion of clustered ganglia was the highest, followed by branched, membranous, and droplet ganglia. This study provides crucial experimental evidence for the phase behavior changing process of gas condensate in porous media during the depletion production of gas condensate reservoirs.

Crude Oil Production

Current data on crude oil, field/lease condensate, and natural gas liquids produced from NGL plants. Updated on a monthly basis.