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[Display omitted] • Gefitinib and 2 co-formers form salt hydrates and co-amorphous controlled by water. • There is an imbalance between hydrogen bond acceptors and donors in each system. • Water primarily acts as a hydrogen bond donor in the salt hydrates. • The isolated lattice water maintains the crystallinity of the salt hydrates. Pharmaceutical multi-component solid forms, including salts, co-crystals and co-amorphous systems (COAMs), are used to modify the physicochemical and pharmaco-kinetic properties of these drugs. Gefitinib and two co-formers, bumetanide and furosemide, form salt hydrates in the presence of water and COAMs in the absence of water using solvent evaporation method. Molecular dynamic simulation and isolated water analysis reveal that water molecules play a multi-faceted role in stabilizing the crystalline salt hydrate systems by reducing the total energy of the system, establishing hydrogen bonds, and maintaining the crystalline 3D structures. Salt hydrates are also formed in the presence of water using liquid-assisted grinding. In the absence of water, intermolecular interactions between Gefitinib and co-formers facilitate the formation of COAMs during ball milling and quench cooling, i.e. , in the absence of water. These findings provide valuable insights to the formation of salt hydrates and COAMs by controlling the presence of water. [ABSTRACT FROM AUTHOR]

[Display omitted] • Modified non-bonded interaction energy model was developed to predict co-amorphous. • The model hit 5 new co-amorphous of gefitinib and 4 new co-amorphous of erlotinib. • The proportion of co-former and value of Δ E non-bonded showed a quadratic relationship. • Typical co-amorphous samples exhibited excellent solubility and good stability. Co-amorphous (CA) formulation is a promising strategy to improve the solubility of poorly water-soluble drugs, however, effective prediction of a CA system is a challenge. In this study, a modified non-bonded interaction energy (Δ E non-bonded) model was developed based on 105 solvent-based cases of 13 drugs chosen from the literature to predict CA formation by solvent-based methods using molecular dynamic simulation. With the cut-off value of −3500 kJ·mol−1, the model hit 5 gefitinib CAs and 4 erlotinib CAs, validating its feasibility. The quadratic relationship between co-former proportion (x co-former) and Δ E non-bonded was analyzed using polynomial regression, indicating the x co-former is most likely to render CA when Δ E non-bonded reaches its extreme value. Hydrogen bonds between the NH group of active pharmaceutical ingredient and sulfonamide group of co-former were confirmed experimentally and computationally. Typical CA samples showed remarkable improved solubility (12.1 and 9.3 times) in PBS solution and good physical stability under room conditions. [ABSTRACT FROM AUTHOR]

[Display omitted] • Hansen solubility parameters were selected to screen NFX co-amorphous systems. • NFX co-amorphous systems exhibited enhanced solubility and dissolution rates. • Molecular miscibility, π···π and ion interactions are factors for system formation. • Molecular descriptors analysis is a potential approach for co-amorphous design. Amorphization technology has been a promising strategy to improve the solubility and dissolution of drugs. This study aims to prepare norfloxacin (NFX) co-amorphous (CA) systems and evaluate the association between molecular descriptors and the formation and physical stability of NFX CAs. The molecular miscibility between NFX and 17 co-former candidates was firstly predicted using Hansen solubility parameters (HSPs) and six NFX CAs were successfully prepared by dry ball mill. Compared with crystalline NFX, four NFX CAs showed enhanced solubility (up to 2.50-fold) and dissolution rates. NFX CAs exhibited excellent physical stability under dry conditions. According to the quantitative calculations of Pearson correlation coefficient and Ridge regression, molecular descriptors have a great effect on NFX CA formation with structural parameters (Weight, VDW_vol, VDW_area, Rings) stronger than miscibility parameter Δ δ ¯ and p K a. These molecular descriptors corresponding to π···π interactions, molecular miscibility and ionic interactions are also responsible for physical stability. The results demonstrate that NFX CA can be stably formed if the co-former has more rings, smaller Δ δ ¯ (less than or close to 5 MPa0.5) and larger Δp K a. This study offers a potential strategy to screen and design a CA system using multivariate data analysis based on theoretical considerations of molecular descriptors. [ABSTRACT FROM AUTHOR]

Highlights: [•] A new, simple and sensitive SPME-GC method was proposed for determining OPEs. [•] An ionic liquid-based sol–gel SPME fiber was prepared for extracting OPEs. [•] The prepared coating has exhibited excellent extraction capability to OPEs. [•] The prepared coating has a great potential for widespread usage. [•] This study has also expanded the application field of ILs. [ABSTRACT FROM AUTHOR]

Abstract: A novel architecture was designed by controllable electrodeposition of silver nanoparticles doped chitosan hydrogel film for electrochemical sensing of trichloroacetic acid. The as prepared hydrogel film presents excellent ability to facilitate the diffusion and electron transfer process of the negatively charged redox couple [Fe(CN)6]3−/[Fe(CN)6]4− benefitting from positively charged chitosan in acidic solutions. Based on this, by combining the excellent electrocatalytic properties toward trichloroacetic acid, a sensitive amperometric sensor for trichloroacetic acid is constructed with a low detection limit. [Copyright &y& Elsevier]

Abstract: Nanosized TiO2 is a kind of high-performance and functional inorganic material, the widespread use of TiO2 is impaired by some defects of its structure, wide band gap (3.2eV), and agglomeration easily occurred during the synthesis process. Uniform ordered channels of mesoporous materials, such as MCM-41, can control the particle size of TiO2 and efficiently prevent particles from agglomeration. Tetraethylorthosilicate (TEOS) and tetrabutyl titanate were used as the silica source and Ti source respectively to synthesize the TiO2/MCM-41 (TM) doped with different ions. MCM-41 was synthesized using a hydrothermal route; metal ions were incorporated into the pore channels of MCM-41 via a sol–gel method. X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), ultraviolet–visible (UV–vis) spectrophotometry, N2 adsorption–desorption measurements and X-ray photoelectron spectroscopy (XPS) confirmed the incorporation of TiO2 nanoparticles inside the pores of the mesoporous MCM-41 host without destroying its integrity. Specific surface area of TM composites increased, but the pore size and the pore volume decreased compared with that of pure MCM-41. The UV–vis spectra demonstrate that all the absorbance peaks of TM composites have a blue shift. The absorbance peaks of TM composites doped with different metal ions shift again. Ce-doped TM shows red shift markedly, which provides the possibility for preparing visible-light reactive photocatalyst. [Copyright &y& Elsevier]

[Display omitted] • The first osimertinib cocrystal was prepared with the help of theoretical analysis. • Multi-component crystals greatly improved the physicochemical properties. • Impact of molecular descriptors on solubility/dissolution rate were evaluated. • It was found that osimertinib-furosemide increased 5.2-fold antitumor activity. Multi-component crystal based on supramolecular self-assembly is an effective strategy to modify the physicochemical properties of poorly water-soluble drugs. In this study, eight novel multi-component crystals of Osimertinib (AZD) were firstly synthesized under the guidance of theoretical analysis. Five single crystals were successfully obtained, and the AZD-FMS cocrystal shows a distinctive structure wherein free FMS filled in the skeleton, which may be crucial for maintaining morphology. Analysis of crystal structures and Hirshfeld surfaces indicated the involvement of N−H···O and N···H−O hydrogen bonds in the multi-component crystals. Owing to robust intermolecular interactions, multi-component crystals exhibited improved solubility/dissolution rate compared to pure AZD. Multivariate analysis revealed coformers and strong solute–solvent interactions determined the solubility/dissolution rate. Multi-component crystals showed superior stability in solution and low humidity. Moreover, AZD-FSM increased 5.2-fold anti-tumor activity over AZD, which is anticipated to enhance efficacy, reduce drug toxicity, combat drug resistance, and transform from laboratory to clinical application. [ABSTRACT FROM AUTHOR]

Abstract: A novel catalyst, inverse-spinel ferroferric oxide nanoparticles decorated multiwalled carbon nanotubes (Fe3O4/MWCNTs) was successfully prepared, and applied for the adsorption and degradation of trace artificial androgen 17α-methyltestosterone (MT) in the presence of H2O2. The regular growth of ferroferric oxide crystal on multiwalled carbon nanotubes was achieved by in situ oxidation of Fe2+ in hot alkaline solution. The catalyst was characterized by BET, XRD, TEM, XPS and Raman spectroscopy. The effects of initial pH, catalyst loading, oxidant concentration and iron leaching on the degradation of MT were investigated. The Fe3O4/MWCNTs showed higher ability of adsorption and degradation efficiency of MT than bare Fe3O4 in the batch degradation experiment. The degradation efficiencies increased with the initial pH decreasing in the wide pH range of 8.0–3.5. Further, the catalyst showed stable catalytic activity, fairly good mechanic stability and convenient recycling. Negligible iron leaching showed the reused Fe3O4/MWCNTs withstood the oxidation. The enhanced degradation efficiency of Fe3O4/MWCNTs may relate to the enrichment of trace MT molecules by MWCNTs in the vicinities of active sites. [Copyright &y& Elsevier]

Highlights • We report a novel low temperature NCAA process for treatment of waste PCBs. • Debromination and resource recovery were achieved simultaneously. • Debromination efficiency reached 100% at 300 °C. • Copper foil was efficiently recovered from waste PCBs by the NCAA process. • Pyrazine and pyridine compounds were obtained for the first time from waste PCBs. Abstract In waste printed circuit boards (PCBs), brominated epoxy resin (BER) and copper are the two types of material that attracts the most attention due to their environmental risk and resource value. In this study, a novel and high-efficiency process for debromination and resource recovery of waste PCBs by low-temperature near-critical aqueous ammonia (NCAA) was successfully developed. A batch reactor was used in experiments with the temperatures ranging from 200 to 350 °C and the reaction times from 30 to 90 min. The ammonia water in near critical conditions can act not only as a medium but also as a reactant. Approximately 100% of the Br in waste PCBs could be removed and trapped by the NCAA at 300 °C. Copper foil could be easily separated and recovered from waste PCBs after the NCAA process. No brominated organic compounds could be detected in the oil phase products after the NCAA treatment of waste PCBs even at low temperature of 200 °C. Two new products (pyrazine and pyridine compounds) with high value-added were obtained for the first time by the treatment of waste PCBs. This study provides a novel and efficient strategy for the debromination, the recovery of copper, and the preparation of high value-added nitrogen-containing fine chemicals from waste PCBs. The low-temperature NCAA processing of waste PCBs could effectively reduce the energy consumption in comparison with traditional thermal decomposition processes, and promote the sustainable waste management strategy for waste electrical and electronic equipment (WEEE). [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • We report a novel NCM process for treatment of PVC-medical waste. • Dechlorination and additives recovery were achieved simultaneously. • Dechlorination efficiency exceeded 90% at 250 °C. • DBP, DOP, and DMP were efficiently recovered from TFT by the NCM process. • Methyl palmitate and methyl stearate were efficiently recovered from SCFU. Abstract Before PVC-medical waste is subjected to a waste-to-energy recovery process, the dechlorination and the recovery of additives such as plasticizer, stabilizer, and lubricant are quite important and attractive. In this work, a novel process was developed for the dechlorination and the recovery of additives from PVC-medical waste such as tube for transfusion (TFT) and sample collector for urine (SCFU) by using near-critical methanol (NCM). Reaction temperature, solid-to-liquid ratio, and reaction time have significant effect on the dechlorination of TFT and SCFU in NCM. The order of dechlorination efficiency of the samples at the same reaction conditions is as follows: TFT > Pure PVC > SCFU. When reaction temperature was controlled at 250 °C (solid-to-liquid ratio of 1:10 g/mL, reaction time of 60 min), the dechlorination efficiency reached 90%. Plasticizer such as dibutyl phthalate (DBP), dioctyl phthalate (DOP), and dimethyl phthalate (DMP) could be efficiently extracted and recovered from TFT at 250 °C by the NCM process. The recovery efficiency of DBP, DOP, and DMP decreased significantly with increasing temperature due to the further decomposition and other secondary reactions. High level of hexadecanoic acid methyl ester and octadecanoic acid methyl ester can be obtained from SCFU at 250 °C by the NCM process because of the esterification between methanol and hexadecanoic acid/octadecanoic acid, which are the important stabilizers and lubricants generally used in rigid PVC. It is noteworthy that methanol can be circulated and reused in the NCM process. This result showed that the NCM process was beneficial for both the dechlorination and the additives recovery from PVC-medical waste, and had a widespread application prospect for the waste management of PVC wastes. [ABSTRACT FROM AUTHOR]

• TiAlCN quaternary films were fabricated by a novel multi-arc ion plating and DC magnetron sputtering (MIP&DCMS) integrated technique. • TiAlCN quaternary films presented fine grains, high compactness and heterophase composite structures. • Characteristic microstructure of the TiAlCN films contributed to it's superior mechanical, tribological and anticorrosive performances. • Improved corrosion durability of the TiAlCN films was attributed to it's high barrier nature during long periods of immersion in 3.5 wt.% NaCl solution. A new approach was adopted to integrate the promising performances of TiAlN and TiCN ternary films for applications in extreme environments. In this study, Al,C-co-doped δ-TiN films, that is, TiAlCN quaternary films, were fabricated using a novel multi-arc ion plating and direct current (DC) magnetron sputtering (MIP&DCMS) integrated technique. The sandwich-like gradient architecture of the TiAlCN quaternary films altered the columnar crystal nature of the δ-TiN matrix and yielded fine grains, finally producing a heterophase composite structure. This structure contributed to its high microhardness (36.8 ± 1.6 GPa) and elastic modulus (410 ± 22 GPa) while maintaining superior tribological characteristics, with a friction coefficient of 0.26 ± 0.03. The TiAlCN quaternary films provided excellent corrosion resistance to SS304 with a corrosion current density of 0.129 ± 0.116 μA cm−2 and a polarization resistance of 430.5 ± 10.56 kΩ cm2, which are comparable to those of emerging TiAlN and TiCN ternary films. [ABSTRACT FROM AUTHOR]

• Enhanced redispersibility and stability of succinylated-zein nanoparticles were achieved. • A facile approach to prepare zein based core-shell drug carrier was reported. • The carrier exhibited pH-responsive and sustained drug release ability. • Release kinetics, cytotoxicity and cellular uptake of the carrier were discussed. Zein nanoparticles have good prospects as a pharmaceutical carrier but limited in further application by its poor stability and re-dispersibility. To obtain high stability and pH-responsive drug delivery, succinylated-zein (Suc-zein) was synthesized by nucleophilic substitution reaction, the material obtained was used to prepare Suc-zein nanoparticles (SZs). The SZs prepared not only had good dispersibility but showed better stability than zein particles on pH, storage and salinity. After loading indomethacin (Indo) into zeolitic imidazolate framework-8 (ZIF-8), the core-shelled Indo-Suc-zein-ZIF-8 (Indo-SZZs) were fabricated by coating Suc-zein onto the surface of ZIF-8 with better stability and high drug loading. Indo-SZZs were pH-responsive and sustained a drug release profile in a simulated environment. Also SZZs presented as being non-toxic, having good biocompatibility and good cellular up-take performance, and the cytotoxicity of Indo-SZZs was significantly higher than that of Indo. This provides a new insight into the preparation of a zein-based oral drug delivery system. [ABSTRACT FROM AUTHOR]