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Gasification of biomass in supercritical water is a successful technology for hydrogen production especially by using wet biomass. The whole process, from feeding to purification of hydrogen, consists of a lot of equipment, such as pumps, heat exchangers, heaters, reactors, etc. Because the main reactions take place in the gasification reactor, the gasifier is the most important equipment of the process. In this article, a thermodynamic model, including chemical equilibrium in the reactor that is based on Gibbs free energy minimization, is developed to estimate equilibrium composition for gasification of biomass in supercritical water for hydrogen production. For this analysis, we use three types of equations of state, including Peng-Robinson, statistical associating fluid theory equation of state, and a new equation of state. We consider glucose as a model of real biomass. The results of each equation of state are compared with the experimental data. The predicted results show good agreement with the experimental data and it shows that the product gases consist of hydrogen and carbon dioxide more often and methane and carbon monoxide less often. Finally, effects of temperature, pressure, and feedstock concentration are investigated on amount of hydrogen production. [ABSTRACT FROM AUTHOR]

The article discusses a study which correlated the vapor-liquid phase behavior of polymer solutions using a proposed model based on the local composition concept (LLC). The authors compared the results obtained from the proposed model with those obtained from the UNIQUAC-FV model. It was observed that the proposed model has the ability to accurately correlate the VLE data for polymer solutions investigated in the study.

In this work, an expression for the free volume Gibbs energy model based on the local composition concept (LCC) has been proposed in correlating the solubility, the partitioning and the surface tension of β-lactam, tetracycline, fluoroquinolone and chloramphenicol antibiotic groups in water, alcohol, ketone, trihalomethane, ether and ester solvent groups. Similar to the LCC models the proposed model has two combinatorial and residual terms. The extended Guggenheim model is used as combinatorial term and a new local composition-based model, which is the extended local area fraction NRTL-NRF model, is proposed for the residual term. The results obtained from the proposed model have been compared with those obtained from the UNIQUAC and the UNIQUAC-NRF models. Also, the proposed model has been developed in obtaining the surface tension of β-lactam, antibiotic groups in aqueous solutions. It has been concluded that the results of the proposed model can more accurately correlate the solubility, the partitioning and the surface tension of β-lactam, tetracycline, fluoroquinolone and chloramphenicol antibiotic groups in water, alcohol, ketone, trihalomethane, ether and ester solvent. [ABSTRACT FROM AUTHOR]

The solubility of carbon dioxide in a mixture of organic solvents was measured at atmospheric pressure in the temperature range of 10–25°C. The solubility of carbon dioxide in the mixture of organic solvents was obtained by using experimental data. In addition, the adjustable parameters of the local composition based models such as the Wilson, the NRTL, and the NRTL-NRF were determined by fitting the experimental data and the results of these models. The results show that the Wilson and the NRTL-NRF models used for the estimation of the CO2 solubility in the mixture of organic solvents used in this work attained relatively better results than the other models. [ABSTRACT FROM AUTHOR]

Background: This study aimed to provide an up-to-date evaluation of the burden of alcohol use disorder and its consequences in Iran from 1990 to 2019., Methods: We assessed the burden of alcohol use disorder and its three subsequent disorders, including cirrhosis and other chronic liver diseases, liver cancer, and cardiomyopathy using Global Burden of Disease (GBD) data. We retrieved data on incidence, prevalence, death, Years of Life Lost from mortality (YLL), Years of healthy life Lost due to Disability (YLD), and Disability-Adjusted Life Year (DALY), which is calculated by summing YLL and YLD values, indices, as well as sociodemographic index (SDI) values., Results: Age-standardized DALY rate of alcohol use disorder reduced from 55.5 in 1990 to 41.8 per 100,000 in 2019 (-24.1 %). Similarly, age-standardized DALY rates of cirrhosis due to alcohol use (-28.7 %), liver cancer due to alcohol use (-20.9 %), and alcoholic cardiomyopathy (-36.3 %) decreased in Iran from 1990 to 2019. In 2019, alcohol use disorder had the highest DALY rate among individuals younger than 55 years, while cirrhosis due to alcohol use imposed the greatest burden on those older than 55. After adjusting for the year, SDI was negatively associated with the age-standardized DALY rate of liver cancer due to alcohol use (p < 0.001), positively associated with that of alcoholic cardiomyopathy (p = 0.002), and not significantly associated with the burden of other conditions (p > 0.05)., Conclusions: Despite reductions in the age-standardized DALY rate of alcohol use disorders and related consequences among Iranians, they remain a serious public health concern in Iran., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 The Author(s).)

Aqueous two-phase systems (ATPSs) are liquid-liquid equilibria between two aqueous phases that usually contain over 70% water content each, which results in a nontoxic organic solvent-free environment for biological compounds and biomolecules. ATPSs have attracted significant interest in applications for formulating carriers (microparticles, nanoparticles, hydrogels, and polymersomes) which can be prepared using the spontaneous phase separation of ATPSs as a driving force, and loaded with a wide range of bioactive materials, including small molecule drugs, proteins, and cells, for delivery applications. This review provides a detailed analysis of various ATPSs, including strategies employed for particle formation, polymerization of droplets in ATPSs, phase-guided block copolymer assemblies, and stimulus-responsive carriers. Processes for loading various bioactive payloads are discussed, and applications of these systems for drug delivery are summarized and discussed., (© The Author(s) 2024. Published by Oxford University Press on behalf of National Academy of Sciences.)

The microalgae Haematococcus pluvialis are the main source of the natural antioxidant astaxanthin. However, the effective extraction of astaxanthin from these microalgae remains a significant challenge due to the rigid, non-hydrolyzable cell walls. Energy savings and high-efficiency cell disruption are essential steps in the recovery of the antioxidant astaxanthin from the cysts of H. pluvialis. In the present study, H. pluvialis microalgae were first cultured in Bold's Basal medium under certain conditions to reach the maximum biomass concentration, and then light shock was applied for astaxanthin accumulation. The cells were initially green and oval, with two flagella. As the induction time increases, the motile cells lose their flagellum and become red cysts with thick cell walls. Pre-treatment of aqueous two-phase systems based on deep eutectic solvents was used to decompose the cell wall. These systems included dipotassium hydrogen phosphate salt, water, and two types of deep eutectic solvents (choline chloride-urea and choline chloride-glucose). The results of pre-treatment of Haematococcus cells by the studied systems showed that intact, healthy cysts were significantly ruptured, disrupted, and facilitated the release of cytoplasmic components, thus facilitating the subsequent separation of astaxanthin by liquid-liquid extraction. The system containing the deep eutectic solvent of choline chloride-urea was the most effective system for cell wall degradation, which resulted in the highest ability to extract astaxanthin. More than 99% of astaxanthin was extracted from Haematococcus under mild conditions (35% deep eutectic solvent, 30% dipotassium hydrogen phosphate at 50 °C, pH = 7.5, followed by liquid-liquid extraction at 25 °C). The present study shows that the pre-treatment of two-phase systems based on deep eutectic solvent and, thus, liquid-liquid extraction is an efficient and environmentally friendly process to improve astaxanthin from the microalgae H. pluvialis., (© 2024. The Author(s).)

Gene therapeutics are promising for treating diseases at the genetic level, with some already validated for clinical use. Recently, nanostructures have emerged for the targeted delivery of genetic material. Nanomaterials, exhibiting advantageous properties such as a high surface-to-volume ratio, biocompatibility, facile functionalization, substantial loading capacity, and tunable physicochemical characteristics, are recognized as non-viral vectors in gene therapy applications. Despite progress, current non-viral vectors exhibit notably low gene delivery efficiency. Progress in nanotechnology is essential to overcome extracellular and intracellular barriers in gene delivery. Specific nanostructures such as carbon nanotubes (CNTs), carbon quantum dots (CQDs), nanodiamonds (NDs), and similar carbon-based structures can accommodate diverse genetic materials such as plasmid DNA (pDNA), messenger RNA (mRNA), small interference RNA (siRNA), micro RNA (miRNA), and antisense oligonucleotides (AONs). To address challenges such as high toxicity and low transfection efficiency, advancements in the features of carbon-based nanostructures (CBNs) are imperative. This overview delves into three types of CBNs employed as vectors in drug/gene delivery systems, encompassing their synthesis methods, properties, and biomedical applications. Ultimately, we present insights into the opportunities and challenges within the captivating realm of gene delivery using CBNs.

In this work, intermolecular interactions among the species of fatty acids-based DESs with different hydrogen bond acceptors (HBA) in the adjacent water have been investigated using molecular dynamics (MD) simulation. The results of this work provide deep insights into understanding the water stability of the DESs based on thymol and the eutectic mixtures of choline chloride and fatty acids at a temperature of 353.15 K and atmospheric pressure. Stability, hydrogen bond occupancy analysis, and the distribution of the HBA and HBD around each other were attributed to the alkyl chain length of FAs and the type of HBA. Assessed structural properties include the combined distribution functions (CDFs), the radial distribution functions (RDFs), the angular distribution functions (ADFs), and the Hydrogen bonding network between species and Spatial distribution functions (SDF). The reported results show the remarkable role of the strength of the hydrogen bond between THY molecules and fatty acids on the stability of DES in water. The transport properties of molecules in water-eutectic mixtures were analyzed by using the mean square displacement (MSD) of the centers of mass of the species, self-diffusion coefficients, vector reorientation dynamics (VRD) of bonds and the velocity autocorrelation function (VACF) for the center of the mass of species., (© 2024. The Author(s).)

Physicochemical properties of the binary mixtures based on Caprylic acid: Quaternary ammonium salts (QAS) (7:3 mol ratio) are investigated using MD simulations. Considering the hydrophobic character of eutectic solvents based on long-chain fatty acids, the stability of the binary mixtures was investigated in the adjacent water. In order to investigate the effect of water on intermolecular interactions in binary mixtures, the structural properties of the binary mixtures in the pure state and adjacent to water were investigated at 310 K. Assessed structural properties include the combined distribution functions (CDFs), the radial distribution functions (RDFs), the angular distribution functions (ADFs), and the Hydrogen bonding network between HBA and HBD and Spatial distribution functions (SDF). We aimed to represent the structural stability of eutectic solvents based on Caprylic acid and Quaternary ammonium salts (QAS) as a function of the alkyl chain length of cations, the evidence was found for the interaction between the chloride anion leads to the transition of HBA to the water-rich phase. The alkyl chain length of cations of Quaternary ammonium salts shows the stability of eutectic solvents in the adjacent water., Competing Interests: Declaration of competing interest The Authors have no conflict of interest., (Copyright © 2023. Published by Elsevier Inc.)

Enteral nutrition is a type of nutritional support that provides the necessary sources of energy and protein for patients who suffer from dysphagia, chronic disease, and loss of appetite. In this study, a gelatin-maltodextrin binary biopolymer system has been incorporated into a semi-solid formula. The I-optimal combination design approach was used to create 19 formulations, and the dynamic rheological properties, dynamic laser scattering, and zeta potential responses were evaluated over 30 days of storage at 5°C. Solid viscoelastic behavior has been approved since G' > G″ in the frequency sweep test with no cross-over point. Maltodextrin may interfere within the gelatin network, and increasing the maltodextrin to gelatin (from 0.14 to 1) may lead to a wider linear viscoelastic (LVE) strain range (2.16%), a lower storage modulus at LVE (52%), a lower yield stress (46%), and a lower glass transition temperature (34%). The presence of maltodextrin may reduce the temperature of the sol-to-solid transformation by 48% and enhance its flexibility. In contrast, increasing the gelatin-to-maltodextrin ratio following melting at 37°C led to an increase in the cumulant mean and polydispersity index, indicating a relatively unstable system. The range of zeta potential values between -4.4 and 1.7 mV confirmed a tendency toward coagulation. Microscopic images revealed instability because of irregular or compact chains formed in the gelatin matrix by using higher amounts of maltodextrin. Finally, the best formula had the best rheological stability and was suitable for tube-feeding patients, with a gelatin-to-maltodextrin ratio of 4.35:3.64% w/w on day 17.4., (© 2023 Wiley Periodicals LLC.)

Biallelic expansions of various tandem repeat sequence motifs are possible in RFC1 (replication factor C subunit 1), encoding the DNA replication/repair protein RFC1, yet only certain repeat motifs cause cerebellar ataxia, neuropathy, and vestibular areflexia syndrome (CANVAS). CANVAS presents enigmatic puzzles: The pathogenic path for CANVAS neither is known nor is it understood why some, but not all expanded, motifs are pathogenic. The most common pathogenic repeat is (AAGGG)n•(CCCTT)n, whereas (AAAAG)n•(CTTTT)n is the most common nonpathogenic motif. While both intronic motifs can be expanded and transcribed, only r(AAGGG)n is retained in the mutant RFC1 transcript. We show that only the pathogenic forms unusual nucleic acid structures. Specifically, DNA and RNA of the pathogenic d(AAGGG)4 and r(AAGGG)4 form G-quadruplexes in potassium solution. Nonpathogenic repeats did not form G-quadruplexes. Triple-stranded structures are formed by the pathogenic motifs but not by the nonpathogenic motifs. G- and C-richness of the pathogenic strands favor formation of G•G•G•G-tetrads and protonated C+-G Hoogsteen base pairings, involved in quadruplex and triplex structures, respectively, stabilized by increased hydrogen bonds and pi-stacking interactions relative to A-T Hoogsteen pairs that could form by the nonpathogenic motif. The ligand, TMPyP4, binds the pathogenic quadruplexes. Formation of quadruplexes and triplexes by pathogenic repeats supports toxic-DNA and toxic-RNA modes of pathogenesis at the RFC1 gene and the RFC1 transcript. Our findings with short repeats provide insights into the disease specificity of pathogenic repeat motif sequences and reveal nucleic acid structural features that may be pathogenically involved and targeted therapeutically., Competing Interests: Conflict of interest The authors declare that they have no conflicts of interest with the contents of this article., (Crown Copyright © 2023. Published by Elsevier Inc. All rights reserved.)

The structural and physicochemical properties of chiral deep eutectic solvents (DESs) consisting of racemic mixtures of menthol and acetic acid (DES1), racemic mixtures of menthol and lauric acid (DES2), and racemic mixtures of menthol and pyruvic acid (DES3) for enantioselective extraction processes are investigated. Structural results, such as the radial distribution function (RDF) and the combined distribution function (CDF), indicate that the hydroxyl hydrogen of menthol has a dominant interaction with the carbonyl oxygen of the acids in the considered DESs. The number of hydrogen bonds and non-bonded interaction energies formed between S -menthol and HBDs are larger than those with R -menthol, resulting in the self-diffusion coefficient of S -menthol being larger than that of R -menthol. Therefore, it can be said that the proposed DESs are good candidates for the separation of drugs with S chirality. The effects of acid type on the density and isothermal compressibility of DESs show the behaviour of DES2 > DES3 > DES1 and DES1 > DES3 > DES2, respectively. Our results provide a better perspective on new chiral DESs at the molecular level for enantioselective processes.

In this work, we focused on the interaction between hydrogen bond acceptor (HBA) and hydrogen bond doner (HBD) in the binary mixtures. The results showed that Cl - anion plays a key role in the formation of DESs. Also, the structural stability of deep eutectic solvents based on fatty acids (FAs) and choline chloride (Ch + Cl - ) at different ratios was investigated in water using molecular dynamics simulations. We observed that the interaction between the chloride anion and the hydroxyl group of the cation leads to the transition of HBA to the water-rich phase. These atomic sites have important rule in the stability of the eutectic mixtures based on FAs and Cl - anion. However, it seems that the binary mixtures with the mole percent at 30% of [Ch + Cl - ] and 70% of FAs have more stability than other ratios., (© 2023. The Author(s).)

The natural gas liquid recovery is an important process in a gas plant to correct hydrocarbon dew point and earn profit. In this study, a natural gas liquid recovery unit operated based on the Joule-Thomson process was investigated and its performance was optimized. To improve the system performance, the plant configuration and intermediate pressure ratio were defined as the variables and maximization of the natural gas liquid recovery rate and maximization of exergy efficiency were defined as the objective functions. To improve the plant performance, the amount of natural gas liquid recovery rate should be increased. To achieve this goal, several scenarios for the intermediate pressure ratio and three new configurations were proposed for the investigated gas plant. In the proposed configurations, the supersonic separators with optimized structures were used instead of the Joule-Thomson process. It was observed that all three proposed configurations improved the natural gas liquid recovery rate compared to the existing configuration. For example, by installing two supersonic separators instead of second and third stage Joule-Thomson valve + low temperature separator, at the optimal operating condition, the natural gas liquid recovery rate increased about 390%. The influence of the intermediate pressure ratio on the phase envelope diagram, exergy efficiency, dew point depression and natural gas liquid recovery rate was also investigated. By comparing the influence of intermediate pressure ratio and modifying the plant configuration on the objective functions, it was observed that the system performance can be further improved by modifying the plant configuration., (© 2022. The Author(s).)

Relapsing Remitting Multiple Sclerosis is a chronic Central nervous system autoimmune disease. There is no absolute treatment for MS and the available remedies are called disease modifying therapies (DMTs). Glatiramer acetate (GA) is one of the FDA approved DMTs. Currently, injection-site problems and unfavorable daily injection are the most common milestones in administration of GA. So that, the design of improved drug delivery systems with sustained release profile seem necessary and helpful in order to minimize GA adverse effects and improve patients' compliance. In this study, we have manufactured a novel chitosan-PLGA (poly (lactic-co-glycolic acid)) hydrogel-microparticles containing GA by double emulsion method. Hydrogel-microparticles' properties including size, morphology and GA loading were investigated. In-vitro drug release was studied during 30 days. In vivo efficacy of GA-hydrogel-microparticles was evaluated in experimental autoimmune encephalomyelitis (EAE) as an established animal model for MS. Pathological studies were performed through H&E (Hematoxylin and Eosin) staining of brain, spine, liver, skin and kidney tissues. Luxol fast blue staining of brain tissue was also done. The obtained results were applied for safety and efficacy evaluations. GA loading and Entrapment efficiency (EE %) of 60% and 95% were achieved, respectively. In- vitro release studies confirms a sustained release profile for GA-hydrogel-microparticles. Mean clinical scores and mean body weights obtained from EAE animal model for GA-hydrogel-microparticles were compared to the outcomes achieved from conventional Iranian brand-generic injection solution of GA (Copamer ® , 20 mg/ml). EAE outcomes and pathological studies confirm similar therapeutic efficacy with longer dosing intervals possibility, improved safety through decreased adverse effects and elimination of site injection reactions for GA-hydrogel-microparticles. Further studies on pharmacokinetic and pharmacodynamics in human volunteers are still required to thoroughly examine different aspects of this newly developed GA- hydrogel-microparticles., (© 2022. The Author(s).)

In the present work, single wall carbon nanotubes (SWCNT) were successively functionalized with phospholipid DSPE-PEG carboxylic acid, and then, with ethylenediamine (EDA), to obtain double functionalized single wall carbon nanotube (DFSWCNT). Then, DFSWCNT was applied as a carrier for delivering amphotericin B (Amb) and EGFP plasmid. FSWCNT's concentration obtained via UV-visible analysis was 0.99 mg/mL. The TGA analysis results provided the lost weights of DSPE-PEG-COOH, EDA, Amb and SWCNT impurities. XPS results showed that carbon atoms' percentage decreased during the functionalization processes from 97.2% (SWCNT) to 76.4% (FSWCNT) and 69.9% (DFSWNCT). Additionally, the oxygen atoms' percentage increased from 2.3% (SWCNT) to 21% and 22.5% for FSWCNT and DFSWCNT, respectively. New bonds such as C-N and N-C=O appeared in the synthesized nanocarrier. The I G /I D ratio in Raman analysis decreased from 7.15 (SWCNT) to 4.08 (FSWCNT). The amount of Amb released to phosphate buffer saline medium was about 33% at pH = 5.5 and 75% at pH = 7.4 after 48 h. CCK8 results confirmed that the toxicity of functionalized SWCNT had decreased. In a 2:1 ratio of DFSWCNT/EGFP plasmid, the cell viability (87%) and live transfected cells (56%) were at their maximum values. The results indicate that carbon nanotubes have the potential to be applied as drug/gene delivery systems with outstanding properties such as high loading capacity and easy penetration to cell membrane., (© 2022. The Author(s).)

Branched star polymers offer exciting opportunities in enhancing the efficacy of nanocarriers in delivering biologically active lipophilic agents. It is demonstrated that the star polymeric architecture can be leveraged to yield soft nanoparticles of vesicular morphology with precisely located stimuli-sensitive chemical entities. Amphiphilic stars of AB 2 (A = PEG, B = PCL) composition with/without oxidative stress or reduction responsive units at the core junction of A and B arms, are constructed using synthetic articulation. Fisetin, a natural flavonoid with remarkable anti-inflammatory and antioxidant properties, but of limited clinical value due to its poor aqueous solubility, is physically encapsulated into miktoarm star-derived aqueous polymersomes. Polymersomes and fisetin are evaluated separately, and in combination, in human microglia (HMC3), to show if i) polymersomes are toxic; ii) fisetin reduces the abundance of reactive oxygen species (ROS); and iii) fisetin modulates the activation of ERK1/2. These signaling molecules and pathways are implicated in inflammatory processes and cell survival. Fisetin, both incorporated and nonincorporated into polymersomes, reduces ROS and ERK1/2 phosphorylation in lipopolysaccharide-treated human microglia, normalizing excessive oxidative stress and ERK-mediated signaling., (© 2022 Wiley-VCH GmbH.)

In this paper, three passive methods for the generation of swirl flow in the supersonic separator (3S) were investigated, and their structures were optimized by computational fluid dynamics (CFD) modeling. The influence of the structural and operational parameters on the dew point depression, phase envelope diagram, rate of natural gas liquid (NGL) recovery, and separation efficiency have also been evaluated. The collection efficiency was significantly improved for the nozzle equipped with the passive swirler compared with the simple nozzle. The selection of passive swirler type played a crucial role in the natural gas liquefaction and separation. The side injected swirler, and serpentine swirler showed the most significant improvement in separation efficiency than the U-turn swirler. For the side injected swirler at the optimum injection angle, the maximum collection efficiency was about 89% at the pressure loss ratio (PLR) of 0.2. Besides, the simulation results demonstrated that for the serpentine 3S, with the increase in serpentine twist number, the highest improvement on the collection efficiency of the investigated nozzle was obtained. In addition, it was observed that, when the convergent section profile was designed according to the Witoszynski line-type, a larger refrigeration zone was obtained than other considered profiles., (© 2022. The Author(s).)

In this study, the effects of several structural and operational parameters affecting the separation efficiency of supersonic separators were investigated by numerical methods. Different turbulence models were used and their accuracies were evaluated. Based on the error analysis, the V2-f turbulence model was more accurate for describing the high swirling turbulent flow than other investigated turbulence models. Therefore, the V2-f turbulence model and particle tracing model were selected to optimize the structure of the convergence part, the diffuser, the drainage port, and the swirler. The cooling performance of three line-type in the convergent section were calculated. The simulation results demonstrated that the convergent section designed by the Witoszynski curve had higher cooling depth compared to the Bi-cubic and Quintic curves. Furthermore, the expansion angle of 2° resulted in the highest stability of fluid flow and therefore was selected in the design of the diffuser. The effect of incorporating the swirler and its structure on the separation performance of supersonic separator was also studied. Three different swirler types, including axial, wall-mounted, and helical, were investigated. It was observed that installing the swirler significantly improved the separation efficiency of the supersonic separator. In addition, the simulation results demonstrated that the separation efficiency was higher for the axial swirler compared to the wall-mounted and helical swirlers. Therefore, for the improved nozzle, the swirling flow was generated by the axial swirler. The optimized axial swirler was constructed from 12 arced vanes each of which had a swirl angle of 40°. For the optimized structure, the effects of operating parameters such as inlet temperature, pressure recovery ratio, density, and droplet size was also investigated. It was concluded that increasing the droplet size and density significantly improved the separation efficiency of the supersonic separator. For hydrocarbon droplets, the separation efficiency improved from 4.6 to 76.7% upon increasing the droplet size from 0.1 to 2 µm., (© 2021. The Author(s).)

Nowadays, finding a novel, effective, biocompatible, and minimally invasive cancer treatment is of great importance. One of the most promising research fields is the development of biocompatible photothermal nanocarriers. PTT (photothermal therapy) with an NIR (near-infrared) wavelength range (700-2000 nm) would cause cell death by increasing intercellular and intracellular temperature. PTT could also be helpful to overcome drug resistance during cancer treatments. In this study, an amine derivative of phospholipid poly ethylene glycol (DSPE-PEG (5000) amine) was conjugated with SWCNTs (single-walled carbon nanotubes) to reduce their intrinsic toxicity. Toxicity studies were performed on lung, liver, and ovarian cancer cell lines that were reported to show some degree of drug resistance to cisplatin. Toxicity results suggested that DSPE-PEG (5000) amine SWCNTs might be biocompatible photothermal nanocarriers in PTT. Therefore, our next step was to investigate the effect of DSPE-PEG (5000) amine SWCNT concentration, cell treatment time, and laser fluence on the apoptosis/necrosis of SKOV3 cells post-NIR exposure by RSM and experimental design software. It was concluded that photothermal efficacy and total apoptosis would be dose-dependent in terms of DSPE-PEG (5000) amine SWCNT concentration and fluence. Optimal solutions which showed the highest apoptosis and lowest necrosis were then achieved.

In this study, the applicability of the perturbed chain statistical associating fluid theory (PC-SAFT) was evaluated for pharmaceutical compounds. For this purpose, the parameters of the PC-SAFT equation of state (EOS) were regressed by applying the experimental solubility data of 54 pharmaceuticals in pure solvents. The reported errors for train and test data show the suitability of the PC-SAFT EOS. The applicability of the PC-SAFT EOS was explored by its prediction accuracy for the ternary system of medicine in solvent mixtures. The model errors were 23 and 26% for two ternary systems of salicylic acid and lidocaine HCl in solvent mixtures of ethanol and water, respectively. The co-crystal formation of salicylic acid-sulfamethazine in methanol was investigated by the PC-SAFT EOS. Finally, the reaction and crystallization sections for acetaminophen production from p-aminophenol were simulated by accompanying the PC-SAFT EOS and equilibrium assumption. The purification efficiencies for acetaminophen were obtained to be 93-98% for different temperatures., (Copyright © 2021 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.)

The present study was conducted to develop a predictive type of PC-SAFT EOS by incorporating the COSMO computations. With the proposed model, the physical adjustable inputs to PC-SAFT EOS were determined from the suggested correlations with dependency to COSMO computation results. Afterwards, we tested the reliability of the proposed predictive PC-SAFT EOS by modeling the solubility data of certain pharmaceutical compounds in pure and mixed solvents and their octanol/water partition coefficients. The obtained RMSE based on logarithmic scale for the predictive PC-SAFT EOS was 1.435 for all of the solubility calculations. The reported values (1.435) had a lower value than RMSE for COSMO-SAC model (4.385), which is the same as that for RMSE for COSMO-RS model (1.412). The standard RMSE for octanol/water partition coefficient of the investigated pharmaceutical compounds was estimated to be 1.515.

6-Aminopenicillanic acid (6-APA) is used for synthesis of semisynthetic antibiotics. Polymer-salt aqueous two-phase systems (ATPSs) were applied for separation of 6-APA and phenyl acetic acid (PAA), as the products of hydrolyzation reaction of Penicillin G/Penicillin V. The binodal curves of ATPS composed of a copolymer (reverse Pluronic 10R5, Pluronic L35 and PEG-ran-PPG) and a salt (Tri-sodium citrate, tri-potassium citrate, di-potassium phosphate, sodium sulphate and magnesium sulphate) were obtained. The results show that, at a fixed PPG/PEG ratio, block copolymers have larger two-phase region compared with random copolymer. After screening on the partition coefficient of PAA and 6-APA separately, Na 2 SO 4 was selected for studying the effect of the copolymer structure and the composition of salt and copolymer on partitioning, considering higher selectivity of PAA and 6-APA. 10R5-Na 2 SO 4 ATPS was selected as the most appropriate system for separation of 6-APA and PAA. This system was used for separation of mixture of 6-APA and PAA. The results show that selectivity was [Formula: see text] 53 and smaller in a system, containing a mixture of 6-APA and PAA. This observation can be justified by the interaction between 6-APA and PAA. Molecular interaction between these two molecules were investigated by the Flory-Huggins interaction parameter.