Mixed Solution Research Articles

A Portable Zn2+ Fluorescence Sensor for Information Storage and Bio-Imaging in Living Cells.

A fluorescence probe (Probe-ITR) was designed and synthesized for the rapid detection of Zn2+ based on the excited state intramolecular proton transfer (ESIPT) mechanism. The specific recognition ability of Probe-ITR to Zn2+ was tested using UV-VIS and fluorescence emission spectroscopy. The results demonstrated a rapid response within 40s upon addition of an appropriate amount of Zn2+ into the mixed solution of the target probe molecules (DMSO/PBS = 5/5). Under 365nm ultraviolet light irradiation, the colorless solution changed to yellow-green fluorescence with a 150-folds increase in intensity. Furthermore, the detection limit for specific recognition of Zn2+ by the probe molecule is only 17.3 nmol/L, indicating high sensitivity. The practical application potential of the probe molecules was enhanced by employing on information storage and conducting cell imaging experiments.

Performance of Single Nanopore and Multi-Pore Membranes for Blue Energy.

The salinity gradient power extracted from the mixing of electrolyte solutions at different concentrations through selective nanoporous membranes is a promising route to renewable energy. However, several challenges need to be addressed to make this technology profitable, one of the most relevant being the increase of the extractable power per membrane area. Here, the performance of asymmetric conical and bullet-shaped nanopores in a 50 nm thick membrane are studied via electrohydrodynamic simulations, varying the pore radius, curvature, and surface charge. The output power reaches ~60 pW per pore for positively charged membranes (surface charge σw=160 mC/m2) and ~30 pW for negatively charges ones, σw=-160 mC/m2 and it is robust to minor variations of nanopore shape and radius. A theoretical argument that takes into account the interaction among neighbour pores allows to extrapolate the single-pore performance to multi-pore membranes showing that power densities from tens to hundreds of W/m2 can be reached by proper tuning of the nanopore number density and the boundary layer thickness. Our model for scaling single-pore performance to multi-pore membrane can be applied also to experimental data providing a simple tool to effectively compare different nanopore membranes in blue energy applications.

Guanidinium‐Based Covalent Organic Framework Membranes for Superior Mono‐ and Divalent Cations Separation

Biological membranes exhibit extraordinary efficiency in processing ion permeability and selectivity. However, creating artificial membranes for an ideal ion separation is still challenging due to the subtle distinctions in valence and size among different ions. In the realm of biological recognition, the ultimate selectivity of ion channels is considered to stem from the specific binding interactions and appropriate charge density. Designing artificial membranes to achieve similar performance not only helps the understanding of complex ion transport in bioprocesses but also facilitates critical industrial separations. Inspiring by the remarkable performance in biological systems, a guanidinium‐based covalent organic framework membrane is designed, which exhibits an excellent capability to recognize mono‐/divalent cations, achieving K+/Mg2+ selectivity up to 202 in a mixed salt solution. Furthermore, the membrane displays rapid ion transport owing to the uniform sub‐2 nm channels. The experimental results and molecular dynamics simulations illustrate that the charge‐assisted hydrogen bonding sites and the Cl− counter ions within 1D channels play critical roles in cations sieving. Specifically, divalent ions passing through the positively charged channels need to overcome higher energy barriers than monovalent ions. These findings offer promising avenues for the development of advanced multifunctional membranes for efficient ion separation and sustainable water‐related separations.

Injectable nanocomposite hydrogel with cascade drug release for treatment of uveal melanoma.

Uveal melanoma (UM) is the most common malignant intraocular tumor with the trait of distant metastases. Currently, the standard clinical therapy results in suboptimal outcomes due to ineffective inhibition of tumor metastasis. Thus, developing novel therapeutic modalities for UM remains a critical priority. Herein, we have developed an injectable nanocomposite hydrogel (HA-DOX/LAP gel) through integrating hyaluronic acid-based drug-loaded nanoparticles into an alginate-dopamine gel, delivering the chemotherapeutic drugs, lapatinib and doxorubicin for combinational treatment of UM. HA-DOX/LAP gel is fabricated in situ by a simple injection of the mixed precursor solution into tumor sites and maintains in vivo for more than 21 days. The entrapped drug-loaded nanoparticles can gradually release from HA-DOX/LAP gel, enhancing tumor targeting and penetration, and synchronously releasing lapatinib and doxorubicin into the acidic intracellular environment to synergistically destroy UM cells. In vivo anti-tumor studies conducted in MuM-2B tumor models demonstrated that HA-DOX/LAP gel significantly impedes tumor growth, diminishes postoperative recurrence, and prolongs overall survivals of UM tumor-bearing mice through only single injection. Remarkably, the escaped drug-loaded nanoparticles effectively reduce the risk of tumor metastases. Our findings provide new insights for the development of multifunctional nanocomposite-incorporating combination therapy against UM by targeting tumor recurrence and metastases.

Experimental Study and Analysis of the Static and Dynamic Mechanical Properties of Graphene Oxide Cement Soil Under Composite Salinity Erosion

In coastal and saline-alkali regions, cement soil materials face significant challenges from salt erosion and both dynamic and static loads, threatening their structural stability. To enhance the mechanical properties of cement soil, this study explores the incorporation of graphene oxide (GO). We subjected GO cement soil specimens to various concentrations of a composite salt solution (with a NaCl to Na2SO4 mass ratio of 1:1) in erosion experiments lasting 7 and 30 days. The specimens were analyzed through unconfined compressive strength tests, split Hopkinson pressure bar (SHPB) tests, and scanning electron microscopy (SEM) to examine changes in stress-strain curves, peak stress, and energy dissipation. The results indicate that the dynamic and static peak stresses, energy absorption, and energy absorption efficiency of the GO cement soil specimens are inversely related to the concentration of the mixed salt solution. Notably, in a 4.5g/L erosion environment after 7 days, an increasing trend was observed in static peak stress, energy absorption, and energy absorption efficiency. Additionally, when the salt concentration was fixed, these properties showed a positive correlation with impact gas pressure. SEM analysis revealed that the nucleation effect of GO and its strong bonding with the cement matrix significantly improved the microstructure of the specimens by reducing pores and defects, thus enhancing density and overall performance. Furthermore, in an 18g/L erosion environment, a notable presence of ettringite (AFt) was identified in the GO cement soil specimens.

Dicarboxylate cellulose nanofibrils-supported silver nanoparticles as a novel, green, efficient and recyclable catalyst for 4-nitrophenol and dyes reduction

This study reports dicarboxylate cellulose nanofibrils (DCNF) as a novel reducing and supporting agent for producing silver nanoparticles (AgNPs) with high efficiency (63.82 % reduction) and loading (6.88 %) using UV light. Unlike previous research, AgNPs formation with DCNF doesn't involve cellulose oxidation. Instead, it appears to involve a loss of carboxyl groups from DCNF. In comparative studies, pristine CNF (PCNF) and TEMPO-oxidized CNF (TOCNF) were also examined for AgNPs production. The resulting AgNPs from DCNF exhibited a significantly smaller average size (3.9 ± 0.7 nm) compared to those from PCNF (26.9 ± 10.9 nm) and TOCNF (13.5 ± 4.5 nm). Catalytic activity evaluation by the 4-nitrophenol (4-NP) reduction reaction revealed a high rate constant of 8.47× 10−3 s−1 by AgNPs/DCNF, which surpassed AgNPs/TOCNF (1.79 × 10−3 s−1) and AgNPs/PCNF (0.63 × 10−3 s−1) by 4.7 and 13.4 times, respectively. Besides 4-NP, AgNPs/DCNF aerogels were also applied for methyl orange and Rhodamine B dyes reduction. The aerogels showed excellent reusability, maintaining over 95 % conversion even after five cycles and also effective in treating real samples and mixed dye solutions. This study opens the door for future research exploring DCNF as a support material for various metal, metal oxide, and carbon nanoparticles.

Strengthening Resilience and Sustainability for Post-Disaster Recovery: A Comparative Law and Economics Analysis on Smart Mixes Between Mechanisms

This article advocates smart mixes of mechanisms of post-disaster recovery in terms of boosting resilience and sustainability through liability rules, government intervention, insurance, and their combinations. Liability rules can provide compensation to victims and, in theory, also reduce disaster risks, while they have their limits in practice. The government widely intervenes in disaster compensation in many countries, but it faces challenges in how it can intervene fairly and efficiently, whether through informal channels, such as ad hoc charity, or structured approaches, such as compensation funds. As governments may struggle to provide efficient and effective compensation ex post, insurance may offer proactive solutions with models of first-party catastrophe insurance and third-party liability insurance ex ante. Where market failure, liability failure, and government failure may all arise, a smart mix of mechanisms is often preferable from a law and economic perspective, rather than relying solely on one framework. However, upon examining empirical evidence regarding the effectiveness of these instruments in China, the UK, France, Germany, and Turkey, it becomes apparent that a mix of mechanisms is not always applied in an effective manner. Models of mandatory comprehensive disaster insurance, and Public–Private Partnership (PPP), which both receive government intervention as a last resort to the market and liability failures, can reach the goal of more effective compensation for disaster victims, risk prevention and resilience when faced with disaster recovery, and should therefore be substantially implemented beyond the current levels. To be clear, the proposed mix of solutions mainly focuses on legal and economic dimensions which are rather limited, ignoring, for example, building codes for structures and physical interventions.

Ion Identification and Ultralow Concentration Sensing with Liquid Flexoelectricity.

The isolation and concentration of electrical charges at ionic-electronic interfaces are prevalent phenomena that impede effective communication between ionic and electronic systems. Detecting these concentrated charges at the interface is crucial for applications, such as signal transmission and ion detection. Current electrical detection approaches introduce additional ionic-electronic interfaces via metallic electrodes with an external stimulating voltage, which alters the initial ion distributions at the interfaces. In this work, we introduce the flexoelectricity of liquids to examine the electrical charge aggregation at ionic-electronic interfaces under cyclic mechanical loads. The measured electrical responses reflect the coupling phenomena between the flexoelectricity and the electric double layer. This proposed approach demonstrates the capability to quantify ion types and concentrations at interfaces. Furthermore, it can identify ion types in mixed solutions and offers high sensitivity at ultralow concentrations. This work promotes a nonchemical, general mechanical method for charge detection at ionic-electronic interfaces.

Consumer liking of steamed green Chinese cabbage (Brassica rapa ssp. chinensis) cultivated in formulated vegetable waste-based organic hydroponic solutions

Chinese cabbage or pak choy (Brassica rapa ssp. chinensis) is often consumed because of its high nutritional content and several health advantages. Due to their promotion as being healthier and more ecologically friendly, hydroponic vegetables have seen a recent spike in consumer interest. The production of Chinese cabbage involved the processing of the vegetable waste to create various hydroponic solution formulations (F1 = banana peels, eggshells, and bean sprouts; F2 = banana humps, onion peels, bean sprouts, and moringa leaves; F3 = moringa leaves, onion peels, and bean sprouts; and F4 = AB Mix solution). They were applied at concentrations of 600, 900, 1,200, and 1,500 parts per million. The aim of this study was to investigate the relationship between the type of hydroponic growth solutions and Chinese cabbage customer acceptance. As a result, using a hedonic test of consumer liking, a panel of 32 untrained individuals was asked to show their liking score on sensory attributes of Chinese cabbage. There was a significant difference in the color liking of Chinese cabbage as an effect of hydroponic solution formulation. However, both organic vegetable waste-based formulations did not statistically substantially affect consumer acceptance, which includes color, taste, flavor, texture, and overall liking. Ultimately, vegetable waste-based organic formulations can be used to produce Chinese cabbage that is as acceptable to customers as those prepared with inorganic AB-Mix solution.

Insights into mixed dye pollutant degradation by oxygen and air plasma bubbling array

Abstract Synthetic organic dye pollutants pose a serious threat to the aquatic ecological environment due to their difficulty in complete degradation. This study employed a plasma bubble array reactor to degrade individual and mixed dye pollutant solutions of Sunset Yellow (SY), Methyl Orange (MO), and Methyl Violet (MV). The degradation efficiencies and mechanisms of the plasma were investigated under different working gas atmospheres. It was found that oxygen plasma degraded the target dyes and their mixtures more significantly than air plasma. Specifically, compared with air plasma, the removal of single dyes SY, MO and MV by oxygen plasma was increased by 76.6%, 13.8% and 3%, respectively, after 20 min of treatment. As for mixed dyes, after 25 min treatment, oxygen plasma removed 99.1%, which was 31.6% higher than air plasma. However, the degradation kinetic order in oxygen plasma was SY > MO > MV, while that in air plasma was MV > MO > SY. Combined with the detection of reactive oxygen-nitrogen species (RONS), the results showed that the reactive oxygen species (ROS) played an important role in the degradation of SY, and it was also important for the degradation of MO, whereas both the ROS and reactive nitrogen species (RNS) were important for the degradation of MV. Scavenger experiments revealed that hydroxyl (·OH) and superoxide anion (·O2-) played the most important roles in the degradation process. The three dyes were basically completely degraded within 14-20 minutes of treatment, with corresponding yields of 1.94-2.79 g/kWh. Possible degradation pathways for each dye were deduced based on LC-MS and the toxicities of solutions were evaluated by phytotoxicity tests and ion chromatography. The results showed that the biotoxicity of the intermediates was significantly reduced. This study may provide a feasible option for effective application of plasma technology in organic dye wastewater treatment.

Skill mix among healthcare workers during the Covid-19 pandemic – a scoping review

Abstract Background The problem of human resource shortages in health care was highlighted during the Covid-19 pandemic in many countries around the world. Various solutions have been implemented to cope with the crisis, one of which is the skill mix of medical and peri-medical staff. The aim of the scoping review was to systematise knowledge about the skill mix of healthcare workers during the Covid-19 pandemic. Methods The review was conducted in five scientific databases including Cinahl Ultimate, Web of Science, Medline (PubMed), Embase and Scopus. The review included studies published from 2020 until July 2023, presenting original research on the skill mix of health care workers. Results A total of 5039 records were identified in the databases and 27 articles were included in the final analysis. Of the included studies, 14 were conducted in Western and Southern Europe. Most of the studies included in the review were conducted among nurses (n = 12), pharmacists (n = 11) and doctors (n = 6). The majority of studies concerned re-allocating tasks (n = 9) and re-allocating tasks and introducing or changing teamwork (n = 7). Research covered psychological aspects of work, patient safety, work reorganisation and training and collaboration. Many studies also focused on difficulties and barriers related to skill mix, such as blurring of responsibilities and role ambiguity. The review did not identify any studies conducted among laboratory diagnosticians, medical coordinators or surgical assistants. In addition, there were no studies of skill mix in Central and Eastern Europe during the pandemic. Conclusions Given that skill mix may be one of the solutions to reduce the negative impact of staff shortages, more research should be conducted in this area. Healthcare professionals should be involved in decision-making processes related to the granting of new competencies or the creation of new professions/functions in healthcare. Key messages • It is necessary to involve health professionals in the process of creating new skill mix solutions. • More research is needed on skill mix in times of crisis, particularly in Central and Eastern Europe.

Gallic acid functionalized silk fibroin/gelatin composite wound dressing for enhanced wound healing.

ABSTRACT
As the incidence of chronic wounds increases, the requirements for wound dressings are rising. The specific aim of this study is to propose a novel gallic acid (GA) functionalized silk fibroin (SF) and gelatin (Gel) composite wound dressing in which GA is used as an antibacterial and wound healing substance. Via electrospinning, SF, Gel, and GA mixed solutions could be conveniently fabricated into a composite nanofiber mat (SF-Gel-GA), consisting of uniform fibers with an average diameter around 134.57 ± 84 nm. The internal mesh structure of SF-Gel-GA provides sufficient drug loading capacity, proper moisture permeability, and proper degradation rate. SF-Gel-GA presents excellent biocompatibility. NIH-3T3 fibroblast cells could adhere and spread stably on the SF-Gel-GA surface with slightly promoted proliferation. In the presence of SF-Gel-GA, the growth of both Gram-positive and Gram-negative bacteria, including Staphylococcus aureusand Pseudomonas aeruginosa, is significantly inhibited in both plate and suspension cultures. A cutaneous excisional mouse wound model proves the efficient ability of SF-Gel-GA to promote wound healing. Compared with pure SF dressing and commercial Tegaderm Hydrocolloid3M dressing, the wound closure rate with SF-Gel-GA treatment is significantly improved. The histological assessments further demonstrate SF-Gel-GA could facilitate collagen deposition, neovascularization, and epithelialization at wound sites to promote wound healing. In conclusion, a novel SF-Gel-GA composite wound dressing with efficient wound healing activities have been developed for chronic wound treatment with broad healing potential.

The precipitate structure of copper-based antibacterial and antiviral agents enhances their longevity for kitchen use

The transmission of bacteria through cooking surfaces, the handles of hot plates, and cookware that is not cleaned frequently can pose a problem. In this study, a copper ion-based mixed solution (CBMS) containing only inorganic ions with controlled acidity was assessed as a new antibacterial and antiviral agent. We analysed the structure of the precipitates, and various deposits measuring a few micrometres were observed on the substrates. We have defined these deposits as strongly bonded scaly copper dispersion (SBSCD) structures.The antibacterial copper component of the liquid agent changed over time after application; this mechanism appears to be responsible for the maintenance of antibacterial performance.CBMS demonstrates high safety for the human body and can be applied to stainless steel materials used in kitchens and tables. It exhibits a sustained antibacterial effect over time, and its antibacterial properties can be continuously maintained.

Nanoflower-like NiCoFe layered hydroxide by in-situ electrochemical corrosion as highly efficient electrocatalyst for water oxidation

Layered double hydroxides have been widely applied for oxygen evolution reaction (OER) in the alkaline water electrolysis. However, the issues of poor connection between the catalyst and nickel foam and the specific mechanisms for active sites has not been fully documented. In this study, the in-situ nickel foam etching in a mixed solution of ferric chloride and cobalt nitrate at low temperatures was adopted for NiCoFe layered ternary hydroxides (NiCoFe LTHs) synthesis with a better tight integration. Physicochemical characterization indicated that the NiCoFe LTHs could grow directly through corroding nickel foam with a nano-flower-like morphology and structures. That is favorable for electron transfer from the catalytic layer to the conductive substrate. With the transition metal ions interaction and the tight integration construction, NiCo1Fe4-LTH-T60/NF presented an enhanced electrolysis performance with the overpotential of 234 mV (1.464 V vs. RHE) at current density of 100 mA cm−2 in 1 M KOH electrolyte. The Tafel slope for NiCo1Fe4-LTH-T60/NF electrode was 36.19 mV dec−1 for an enhanced OER kinetics. Besides, it demonstrated faster interfacial charge transfer process, better intrinsic electrochemical activity and stability in large current stability testing. It was revealed that the synergistic effect of the transition metal ions interaction enhancement and the mechanism of oxygen evolution elementary reaction for NiCo1Fe4-LTH-T60/NF during the water electrolysis by the electrochemical and theoretical calculation. This work provides theoretical basis and experimental support for the design and synthesis of future OER catalyst and substrate, which is significant for hydrogen and oxygen generation from water electrolysis.

Unveiling the Potential of Halloysite Nanotubes: Insights into Their Synthesis, Properties, and Applications in Nanocomposites

AbstractHalloysite nanotubes (HNTs) have attracted considerable attention due to their unique properties and wide range of applications. This review explores HNT‐based nanocomposites, focusing on their preparation methods and improvements in mechanical, thermal, and barrier properties. Various synthesis techniques, including solution mixing, melt compounding, in situ polymerization, and surface modification, are discussed, along with their benefits and limitations. The role of HNT characteristics such as aspect ratio, dispersion, and surface chemistry in enhancing nanocomposite properties is examined. HNTs significantly boost mechanical properties, including tensile strength, Young’s modulus, and toughness, due to their reinforcement effects. Improved dispersion and interfacial adhesion between HNTs and the polymer matrix enhance these properties. HNTs also act as thermal barriers, improving heat resistance and dimensional stability, while enhancing barrier properties against gases and moisture. These synergistic effects allow for the customization of nanocomposites for specific applications in packaging, automotive, electronics, and biomedical fields. Future research should focus on optimizing synthesis methods and processing techniques to further improve HNT‐based nanocomposites’ performance. This review provides a comprehensive overview of HNT‐based nanocomposites, offering valuable insights for advancing nanomaterials science and engineering.

Effect of Microgravity on Rare Earth Elements Recovery by Burkholderia cepacia and Aspergillus niger

Rare earth elements (REEs) are indispensable in modern industry and technology, driving an urgent demand for innovative, eco-friendly recovery technologies. As space exploration advances, the impact of microgravity on microorganisms has become a focal point, yet the effects on microbial growth and REEss recovery remain uncharted. This study investigates the biosorption of REEs by Burkholderia cepacia (B. cepacia) and Aspergillus niger (A. niger) from a mixed solution containing La, Ce, Pr, Nd, Sm, Er, and Y under varying initial concentrations, pH levels, and microgravity conditions. We observed that the medium’s pH rose with B. cepacia and fell with A. niger when cultured in normal gravity conditions, suggesting distinct metabolic responses. Notably, microgravity significantly altered microbial morphology and metabolite profiles, significantly enhancing REEs recovery efficiency. Specifically, the recovery of B. cepacia of Ce and Pr peaked at 100%, and A. niger achieved full recovery of all tested REEs at pH 1.5 (suboptimal growth conditions). This study pioneers the application of biosorption for the recovery of REEs in microgravity conditions, presenting a promising strategy for future resource exploitation by space biomining.

Direct observation of the twisted intramolecular charge-transfer state in polycyclic purinium salts.

Based on femtosecond transient absorption spectroscopy (fs-TAS) of 3-methyl-7,8-diphenyl-3H-purino[6,1-a] isoquinolin-6-ium trifluoromethanesulfonate in dimethyl sulfoxide (DMSO), the stimulated emission (SE) signal redshifts from 400 to 500 nm in 4.8 ps. In a glycerol/DMSO mixed solution, when the glycerol content is 25% and 50%, the delay is extended to 6.9 and 68 ps, respectively. The theoretical emission spectrum in the scanning of potential energy curves demonstrates that the rotation of the φ2 with a lower energy barrier (16.1 kcal/mol) occurs prior to that of φ1. In addition, the purinium salt molecule has a twisted intramolecular charge transfer (TICT) process occurring from the locally excited (LE) state to the charge transfer (CT) state, and torsion of φ2 is restrained in high-viscosity environments, which induces the redshift of SE and its increasing lifetime.

Role of Mo and Zr Additions in Enhancing the Behavior of New Ti–Mo Alloys for Implant Materials

AbstractThe utilization of Ti–Mo alloys in biomedical applications has gained attention for use in biomedical applications owing to their non-toxicity, reasonable cost, and favorable properties. In the present study, Ti–12Mo–6Zr and Ti–15Mo–6Zr alloys were prepared using elemental blend and mechanical alloying techniques. The effect of alloying elements Mo and Zr of Ti–Mo alloy, as well as the effect of fabrication techniques of Ti–Mo–Zr trinary alloys, were investigated. Thermodynamic calculations supported by CALPHAD analysis revealed that the addition of Zr increases lattice distortion, which contributes to enhancing the strength. Conversely, adding Mo decreases the enthalpy, facilitating improved mixing and solid solution formation. The as-sintered samples were characterized by X-ray diffraction, optical microscope, and scanning electron microscopy, and their microhardness, compressive, and corrosion behavior were investigated. Among all the investigated alloys, Ti–15Mo–6Zr alloy prepared by the mechanical alloying technique, milled for six hours at 300 rpm, compacted at 600 MPa, and sintered at 1250 ℃, shows good comprehensive mechanical properties with a preferable compressive strength (− 1710 MPa) and hardness (396 HV5), as well as the lowest wear rate (0.69%) and corrosion rate (0.557 × 10–3 mm/year). This can be related to the solid solution strengthening and relative density, together with dispersion and precipitation strengthening of the α phase. Remarkably, the combination of high mechanical and corrosion properties can be achieved by tailoring the content of the α phase, controlling the density, and providing new fabricating techniques for β Ti alloys. Graphical Abstract

Density of pure and mixed NaCl and CaCl2 aqueous solutions at 293 K to 353 K and 0.1 MPa: an integrated comparison of analytical and numerical data

This study reports on newly acquired density data of synthetically prepared pure and mixed NaCl and CaCl2 aqueous solutions that span a wide range of geothermally encountered concentrations and mixing ratios. The analytical data are provided for the temperature range of 293–353 K at ambient pressure. For the reproduction of that data, PHREESCALE was used. The predictive potential of this numerical tool regarding the density of geothermal fluids of known composition was the major target herein. As a result, the measured data are in good agreement with previous analytical studies found in the literature. Possible sources of errors are discussed in this paper. Density data of the mixed solutions at temperatures other than ambient are unique and close existing data gaps. The numerical model reproduces the newly measured and already existing density data within an error band of approximately 1%. For further use in geothermal applications, this can be considered an excellent agreement. Moreover, the model yields a direct calculation of density without the need to establish complex empirical equations of state and mixing rules. Finally, sensitivity calculations performed with a thermal–hydraulic (TH) numerical reservoir model demonstrate the required accuracy of fluid density for reliably predicting the long-term performance of deep geothermal energy systems. In terms of the productivity index and the timing of thermal breakthrough it shows that the present analytical and numerical uncertainty in density is small enough to reliably state both reservoir parameters.

Measuring the solubility of tacrolimus in supercritical carbon dioxide (binary and ternary systems), comparing the performance of machine learning models with conventional models

The solubility of tacrolimus in a supercritical carbon dioxide (SC-CO2) with and without co-solvent (ternary and binary system) was investigated. The experimental conditions include the temperatures of 308 to 338 K and the pressures of 12 to 30 MPa were considered. The values of tacrolimus solubilization in SC-CO2 in binary and ternary systems were from 0.416 × 10−5 to 1.589 × 10−5 and from 0.389 × 10−4 to 0.875 × 10−4, respectively. The obtained results presented that adding a co-solvent (ethanol) could affect tacrolimus solubility significantly, the mole fraction of tacrolimus in SC-CO2/co-solvent under all experimental conditions was at least 4.9 more than that of SC-CO2 alone. The correlation of the solubility data was achieved by three distinct methods: (1) SRK EoS with van der Waals (vdW2) and Wong-Sandler (WS) as mixing rules, (2) solution theory, (3) empirical and (4) machine learning based models. The analysis of variance (ANOVA) results showed that Sparks et al. (AIC −817.05, and AARD 5.08 %) and Bian et al. (AIC −815.77 and AARD 5.17 %) models could correlate the experimental data of tacrolimus in SC-CO2 with more accuracy, as compared to the other empirical models. Sodeifian and Sajadian model with AARD% and AIC of 2.99 and −726.22, respectively, has acted as the most accurate empirical model in ternary system. The solution theory was able to calculate the solubility for the tacrolimus-SC-CO2-ethanol system with high accuracy (AARD, % 4.85, AIC −701.41, F value 169.70 and Radj 0.9622). Also, the Gradient Boosting model (AARD accurately predicted the outcomes with perfect accuracy for binary and ternary systems. Finally, total (ΔHtotal, 23.21 cal/mol), solvation (ΔHsol, −19.47 cal/mol) and vaporization (ΔHvap, 42.68 cal/mol) enthalpies were obtained by using an energy term in Chrastil and Bartle models.