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Short carbon chain alkanes, as typical volatile organic compounds (VOCs), have molecular structural stability and low molecular polarity, leading to an enormous challenge in the catalytic oxidation of propane. Although Ru-based catalysts exhibit a surprisingly high activity for the catalytic oxidation of propane to CO 2 and H 2 O, active RuO x species are partially oxidized and sintered during the oxidation reaction, leading to a decrease in catalytic activity and significantly inhibiting their application in industrial processes. Herein, the Ru/Ce@Co catalyst is synthesized with a specific structure, in which cerium dioxide is dispersed in a thin layer on the surface of Co 3 O 4 , and Ru nanoparticles fall preferentially on cerium oxide with high dispersity. Compared with the Ru/CeO 2 and Ru/Co 3 O 4 catalysts, the Ru/Ce@Co catalyst demonstrates excellent catalytic activity and stability for the oxidation of propane, even under severe operating conditions, such as recycling reaction, high space velocity, a certain degree of moisture, and high temperature. Benefiting from this particular structure, the Ru/Ce@Co (5:95) catalyst with more Ce 3+ species leads to the Ru species being anchored more firmly on the CeO 2 surface with a low-valent state and has a strong potential for adsorption and activation of propane and oxygen, which is beneficial for RuO x species with high activity and stability. This work provides a novel strategy for designing high-efficiency Ru-based catalysts for the catalytic combustion of short carbon alkanes.

This research aimed to develop, optimize, and evaluate a new antifungal nanoemulsion system based on the crude reuterin-synergistic essential oils (EOs) hybrid to overcome the EOs application limits. At first, the antifungal effects of the Lactobacillus plantarum and Lactobacillus reuteri cell-free extracts (CFE) were tested against the Botrytis cinerea, Penicillium expansum, and Alternaria alternata as indicator fungus using broth microdilution method. The L. reuteri CFE with the MIC of 125 μL/mL for B. cinerea and 250 μL/mL for P. expansum and A. alternata showed more inhibitory effects than L. plantarum. Next, reuterin as a significant antibacterial compound in the L. reuteri CFE was induced in glycerol-containing culture media. To reach a nanoemulsion with maximum antifungal activity and stability, the reuterin concentration, Tween 80 %, and ultrasound time were optimized using response surface methodology (RSM) with a volumetric constant ratio of 5 % v/v oil phase including triple synergistic EOs (thyme, cinnamon, and rosemary) at MIC concentrations. Based on the Box-Behnken Design, the maximum antifungal effect was observed in the treatment with 40 mM reuterin, 1 % Tween 80, and 3 min of ultrasound. The growth inhibitory diameter zones of B. cinerea, P. expansum, and A. alternata were estimated 6.15, 4.25, and 4.35 cm in optimum nanoemulsion, respectively. Also, the minimum average particle size diameter (16.3 nm) was observed in nanoemulsion with reuterin 40 mM, Tween 80 5 %, and 3 min of ultrasound treatment. Zeta potential was relatively high within -30 mV range in all designed nanoemulsions which indicates the nanoemulsion's stability. Also, the prepared nanoemulsions, despite initial particle size showed good stability in a 90-d storage period at 25 °C. In vivo assay, showed a significant improvement in the protection of apple fruit treated with reuterin-EOs nanoemulsions against fungal spoilage compared to free reuterin nanoemulsion. Treatment of apples with nanoemulsion containing 40 mM reuterin showed a maximum inhibitory effect on B. cinerea (5.1 mm lesion diameter compared to 29.2 mm for control fruit) within 7 d at 25 °C. In summary, the present study demonstrated that reuterin-synergistic EOs hybrid with boosted antifungal activities can be considered as a biopreservative for food applications., Competing Interests: Declaration of competing interest 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., (Copyright © 2024 Elsevier B.V. All rights reserved.)

1,2,3-Trichloropropane (TCP) is an emerging groundwater pollutant, but there is a lack of reported studies on the abiotic natural attenuation of TCP by iron minerals. Furthermore, perturbation by O 2 is common in the shallow subsurface by both natural and artificial processes. In this study, natural magnetite was selected as the reactive iron mineral to investigate its role in the degradation of TCP under O 2 perturbation. The results indicated that the mineral structural Fe(II) on magnetite reacted with dissolved oxygen to generate O 2 - · and HO·. Both O 2 - · and HO· contributed to TCP degradation, with O 2 - · playing a more important role. After 56 days of reaction, 66.7% of TCP was completely dechlorinated. This study revealed that higher magnetite concentrations, smaller magnetite particle sizes, and lower initial TCP concentrations favored TCP degradation. The presence of <10 mg/L natural organic matter (NOM) did not affect TCP degradation. These findings significantly advance our understanding of the abiotic natural attenuation mechanisms facilitated by iron minerals under O 2 perturbation, providing crucial insights for the study of natural attenuation., Competing Interests: Declaration of competing interest 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., (Copyright © 2024. Published by Elsevier Ltd.)

A new, eco-friendly process utilising the green solvent propylene carbonate (PC) has been developed to perform N -alkylation of N -, O - and/or S -containing heterocyclic compounds. PC in these reactions served as both the reagent and solvent. Importantly, no genotoxic alkyl halides were required. No auxiliary was necessary when using anhydrous PC. Product formation includes nucleophilic substitution with the concomitant loss of water and carbon dioxide. Substrates prepared, including the newly invented PROTAC drugs, are widely used.

PtSn catalysts were synthesized by incipient-wetness impregnation using a dendritic mesoporous silica nanoparticle support. The catalysts were characterized by XRD, N 2 adsorption-desorption, TEM, XPS and Raman, and their catalytic performance for propane dehydrogenation was tested. The influences of Pt/Sn ratios were investigated. Changing the Pt/Sn ratios influences the interaction between Pt and Sn. The catalyst with a Pt/Sn ratio of 1:2 possesses the highest interaction between Pt and Sn. The best catalytic performance was obtained for the Pt 1 Sn 2 /DMSN catalyst with an initial propane conversion of 34.9%. The good catalytic performance of this catalyst is ascribed to the small nanoparticle size of PtSn and the favorable chemical state and dispersion degree of Pt and Sn species.

Boron oxide/hydroxide supported on oxidized activated carbon (B/OAC) was shown to be an inexpensive catalyst for the oxidative dehydrogenation (ODH) of propane that offers activity and selectivity comparable to boron nitride. Here, we obtain an atomistic picture of the boron oxide/hydroxide layer in B/OAC by using 35.2 T 11 B and 17 O solid-state NMR experiments. NMR spectra measured at 35.2 T resolve the boron and oxygen sites due to narrowing of the central-transition powder patterns. A 35.2 T 2D 11 B{ 17 O} dipolar heteronuclear correlation NMR spectrum revealed the structural connectivity between boron and oxygen atoms. The approach outlined here should be generally applicable to determine atomistic structures of heterogeneous catalysts containing quadrupolar nuclei.

Propane/propylene separation is one of the most challenging and energy-consuming but most important tasks in the petrochemical industry. Herein, a stable hydrogen-bonded organic framework (HOF-FJU-1) was tailor-made for highly efficient propylene separation from binary C 3 H 6 /C 3 H 8 and even seven component CH 4 /C 2 H 4 /C 2 H 6 /C 3 H 6 /C 3 H 8 /CO 2 /H 2 mixtures. The temperature-controllable diffusion channels in HOF-FJU-1 have enabled the porous material to completely exclude propane to reach high-performance propylene purification under energy-efficient operation conditions. Single-crystal structural analysis revealed that the well-matched pore aperture of HOF-FJU-1 can exactly accommodate propylene molecules via multiple intermolecular interactions, exhibiting a very high propylene/propane selectivity of 616 at 333 K. The propylene purity and productivity are over 99.5% and 30.2 L kg -1 from the binary C 3 H 6 /C 3 H 8 (50/50) mixture at 333 K. Through a follow-up column separation of C 3 H 6 /C 2 H 4 at 353 K, not only high-purity propylene (99.5%) but also ethylene (98.3%) can be readily collected from the seven component CH 4 /C 2 H 4 /C 2 H 6 /C 3 H 6 /C 3 H 8 /CO 2 /H 2 (31/10/25/10/10/1/13) cracking gas mixtures. The great potential of HOF-FJU-1 for the industrial propylene separation process has been further supported by the high stability of this porous material under different environments and straightforward processibility and regeneration feasibility.

The commercially available zeolite HY and its desilicated analogue were subjected to a classical wet impregnation procedure with NH 4 VO 3 to produce catalysts differentiated in acidic and redox properties. Various spectroscopic techniques (in situ probe molecules adsorption and time-resolved propane transformation FT-IR studies, XAS, 51 V MAS NMR, and 2D COS UV-vis) were employed to study speciation, local coordination, and reducibility of the vanadium species introduced into the hierarchical faujasite zeolite. The acid-based redox properties of V centres were linked to catalytic activity in the oxidative dehydrogenation of propane. The modification of zeolite via caustic treatment is an effective method of adjusting its basicity-a parameter that plays an important role in the ODH process. The developed mesopore surface ensured the attachment of vanadium species to silanol groups and formation of isolated (SiO) 2 (HO)V=O and (SiO) 3 V=O sites or polymeric, highly dispersed forms located in the zeolite micropores. The higher basicity of HY deSi , due to the presence of the Al-rich shell, aided the activation of the C-H bond leading to a higher selectivity to propene. Its polymerisation and coke formation were inhibited by the lower acid strength of the protonic sites in desilicated zeolite. The Al-rich shell was also beneficial for anchoring V species and thus their reducibility. The operando UV-vis experiments revealed higher reactivity of the bridging oxygens V-O-V over the oxo-group V=O. The (SiO) 3 V=O species were found to be ineffective in propane oxidation when temperature does not exceed 400 °C.

Strains of Limosilactobacillus reuteri are used as starter and bioprotective cultures and contribute to the preservation of food through the production of fermentation metabolites lactic and acetic acid, and of the antimicrobial reuterin. Reuterin consists of acrolein and 3-hydroxypropionaldehyde (3-HPA), which can be further metabolized to 1,3-propanediol and 3-hydroxypropionic acid (3-HP). While reuterin has been the focus of many investigations, the contribution of 3-HP to the antimicrobial activity of food related reuterin-producers is unknown. We show that the antibacterial activity of 3-HP was stronger at pH 4.8 compared to pH 5.5 and 6.6. Gram-positive bacteria were in general more resistant against 3-HP and propionic acid than Gram-negative indicator strains including common food pathogens, while spoilage yeast and molds were not inhibited by ≤ 640 mM 3-HP. The presence of acrolein decreased the minimal inhibitory activity of 3-HP against E. coli indicating synergistic antibacterial activity. 3-HP was formed during the growth of the reuterin-producers, and by resting cells of L. reuteri DSM 20016. Taken together, this study shows that food-related reuterin producers strains synthesize a second antibacterial compound, which might be of relevance when strains are added as starter or bioprotective cultures to food products., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In this study, a new scaffold fabrication method based on the combination of a series of stabilization processes was set up to obtain chitosan scaffolds with improved mechanical properties for regeneration of load-bearing tissues. Specifically, thermally induced phase separation (TIPS) of chitosan solutions was used to obtain an open structure which was then stabilized by freeze-gelation and photo cross-linking. Freeze-gelation combined with freeze-drying permitted to obtain a porous structure with a 95 μm-mean pore size suitable for osteoblast cells' housing. Photo-crosslinking improved by ca. three times the scaffold compressive modulus, passing from 0,8 MPa of the uncrosslinked scaffolds to 2,2 MPa of the crosslinked one. Hydrated crosslinked scaffolds showed a good elastic response, with an 80% elastic recovery for at least 5 consecutive compressive cycles. The herein reported method has the advantage to not require the use of potentially toxic cross-linking agents and may be extended to other soft materials., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

3-Hydroxypropanamidines are a new promising class of highly active antiplasmodial agents. The most active compound 22 exhibited excellent antiplasmodial in vitro activity with nanomolar inhibition of chloroquine-sensitive and multidrug-resistant parasite strains of Plasmodium falciparum (with IC 50 values of 5 and 12 nM against 3D7 and Dd2 strains, respectively) as well as low cytotoxicity in human cells. In addition, 22 showed strong in vivo activity in the Plasmodium berghei mouse model with a cure rate of 66% at 50 mg/kg and a cure rate of 33% at 30 mg/kg in the Peters test after once daily oral administration for 4 consecutive days. A quick onset of action was indicated by the fast drug absorption shown in mice. The new lead compound was also characterized by a high barrier to resistance and inhibited the heme detoxification machinery in P. falciparum .

Deoxyribonuclease I (DNase I) inhibitory properties of two 1-(pyrrolidin-2-yl)propan-2-one derivatives were examined in vitro. Determined IC 50 values of 1-[1-(4-methoxyphenyl)pyrrolidin-2-yl]propan-2-one (1) (192.13±16.95 μM) and 1-[1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-yl]propan-2-one (2) (132.62±9.92 μM) exceed IC 50 value of crystal violet, used as a positive control, 1.89- and 2.73-times, respectively. Compounds are predicted to be nontoxic and to have favorable pharmacokinetic profiles, with high gastrointestinal absorption and blood-brain barrier permeability. Molecular docking and molecular dynamics simulations suggest that interactions with Glu 39, Glu 78, Arg 111, Pro 137, Asp 251 and His 252 are an important factor for inhibitors affinity toward the DNase I. Determined inhibitory properties along with predicted ADMET profiles and observed interactions would be beneficial for the discovery of new active 1-(pyrrolidin-2-yl)propan-2-one-based inhibitors of DNase I., (© 2021 Wiley-VHCA AG, Zurich, Switzerland.)

Mets7 is a methionine-rich motif present in hCtr-1 transporter that is involved in copper cellular trafficking. Its ability to bind Cu(I) was recently exploited to develop metallopeptide catalysts for Henry condensation. Here, the catalytic activity of Mets7-Cu(I) complex in Michael addition reactions has been evaluated. Furthermore, His7 peptide, in which Met residues have been substituted with His ones, was also prepared. This substitution allowed His7 to coordinate Cu (II), with the obtainment of a stable turn conformation as evicted by CD experiments. His7-Cu (II) proved also to be a better catalyst than Mets7-Cu(I) in the addition reaction. In particular, when the substrate was the (E)-1-phenyl-3-(pyridin-2-yl)prop-2-en-1-one, a conversion of 71% and a significative 58% of e.e. was observed., (© 2020 European Peptide Society and John Wiley & Sons, Ltd.)

The highly rigid and planar scaffolds with π-conjugated systems have been widely considered to be indispensable for β-amyloid (Aβ) binding ligands. In this study, a library of diphenoxy compounds with different types of more flexible linkers as Aβ ligands were synthesized and evaluated. Most of them displayed good affinity ( K i < 100 nM) for Aβ 1-42 aggregates, and some ligands even showed values of K i less than 10 nM. Structure-activity relationship analysis revealed that modification on the linkers or substituents tolerated great flexibility, which challenged the long-held belief that rigid and planar structures are exclusively favored for Aβ binding. Three ligands were labeled by iodine-125, and they exhibited good properties in vitro and in vivo, which further supported that this flexible scaffold was potential and promising for the development of Aβ imaging agents.

One new benzophenone (1) and one new 1,3-diphenylpropane (2) were obtained from the fibrous roots of Anemarrhena asphodeloides Bge. Their structures were determined by comprehensive 1D, 2D NMR and HRESIMS data. By comparing the calculated ECD curves and OR with the experimental data the absolute configurations were determined. The antitumor activity of all isolates was evaluated against two human hepatoma carcinoma cells (HepG2 and Hep3B) in vitro. The results demonstrated that compound 1 and 2 showed potent cytotoxicity against HepG2 and Hep3B cells.

Flash-cooling of macromolecular crystals for X-ray diffraction analysis is usually performed in liquid nitrogen (LN2). Cryogens different than LN2 are used as well for this procedure but are highly underrepresented, e.g., liquid propane and liquid ethane. These two cryogens have significantly higher cooling rates compared with LN2 and may thus be beneficial for flash-cooling of macromolecular crystals. Flash-cooling in liquid propane or liquid ethane results in sample vitrification but is accompanied by solidification of these cryogens, which is not compatible with the robotic systems nowadays used for crystal mounting at most synchrotrons. Here we provide a detailed description of a new double-chambered device and procedure to flash-cool loop mounted macromolecular crystals in different cryogenic liquids. The usage of this device may result in specimens of better crystal- and optical quality in terms of mosaic spread and ice contamination. Furthermore, applying the described procedure with the new double-chambered device provides the possibility to screen for the best flash-cooling cryogen for macromolecular crystals on a routine basis, and, most importantly, the samples obtained allow the usage of state-of-the-art robotic sample-loading systems at synchrotrons., Competing Interests: The authors have declared that no competing interests exist.

Photocrosslinkable polymers such as gelatin methacrylate (GelMA) have various 3D bioprinting applications. These polymers crosslink upon exposure to UV irradiation with the existence of an appropriate photoinitiator. Two photoinitiators, Irgacure 2959 and lithium phenyl-2,4,6-trimethylbenzoylphosphinate (LAP) are commonly used. This study systematically investigates the effects of photoinitiator types on the cell viability, physical properties, and microstructure in 3D bioprinting of GelMA-based cellular constructs. The main conclusions are: (1) during the 3D bioprinting, the cell viability generally decreases as the photoinitiator concentration and printing time increase using both Irgacure 2959 and LAP. At the low photoinitiator concentrations (such as 0.3% and 0.5% (w/v)), the overall cell viability is good within the printing time of 60 min using both Irgacure 2959 and LAP. However, at the high photoinitiator concentrations (such as 0.7% and 0.9% (w/v)), the overall cell viability using LAP is much higher than that using Irgacure 2959 within the printing time of 60 min; (2) after the 3D bioprinting, the photoinitiator types, either Irgacure 2959 or LAP, have negligible effects on the post-printing cell viability after crosslinking; (3) after the 3D bioprinting, GelMA samples cured with Irgacure 2959 have slightly larger pore size, faster degradation rate, and greater swelling ratio compared to those cured with LAP; (4) 3D GelMA-based vascular-like constructs have been fabricated using dynamic optical projection stereolithography, and the measured dimensions have been compared with the designed dimensions showing good shape fidelity.

There are several reports for the preparation of furan derivatives using some protocols which requires special conditions. In this way, the aim of this study was to synthesize a new furan-steroid-propanone derivative from both 17α-ethynylestradiol and 2-nitro-17α-ethynylestradiol using some series of reactions such as aldolization, 2 + 2 addition and etherification. The chemical structure was evaluated through both 1 H NMR and 13 C NMR spectroscopic analysis. The results showed a good yielding from furan-steroid derivative. In conclusion, this investigation provides a facile synthesis of a new furan-steroid-propanone derivative, using some reagents which are not expensive and do not require special conditions for handling., (Copyright © 2020 Elsevier Inc. All rights reserved.)

The effect of modification of MFI zeolite 1-5 wt.% ZnO activated by plasma on acid and catalytic properties in the conversion of the propane-butane fraction into arenes was investigated. The high-silica zeolites with silicate module 45 were synthesized from alkaline alumina-silica gels in the presence of an 'X-oil' organic structure-forming additive. The modification of the zeolite with zinc was carried out by impregnating the zeolite granules in the H-form with an aqueous solution of Zn(NO 3 ) 2 . The obtained zeolites were characterized by X-ray phase analysis and IR spectroscopy. It is shown that the synthesized zeolites belong to the high-silica MFI zeolites. The study of microporous zeolite-containing catalysts during the conversion of C 3 -C 4 alkanes to aromatic hydrocarbons made it possible to establish that the highest yield of aromatic hydrocarbons is observed on zeolite catalysts modified with 1 and 3% ZnO and amount to 63.7 and 64.4% at 600 °C, respectively, which is 7.7-8.4% more than on the original zeolite. The preliminary activation of microporous zeolites modified with 1-5% ZnO and plasma leads to an increase in the yield of aromatic hydrocarbons from the propane-butane fraction; the maximum yield of arenes is observed in zeolite catalysts modified with 1 and 3% ZnO and activated by plasma, amounting to 64.9 and 65.5% at 600 °C, respectively, which is 8.9-9.5% more than on the initial zeolite. The activity of the zeolite catalysts modified by ZnO and activated by plasma show good agreement with their acid properties. Activation of the zeolites modified by 1 and 3% ZnO and plasma leads to an increase in the concentration of the weak acid sites of the catalyst to 707 and 764 mmol/g in comparison with plasma-inactivated 1 and 3% ZnO/ZKE-XM catalysts at 626 and 572 mmol/g, respectively.

The synthesis and application of gold nanoparticles (AuNPs) have attracted much attention due to their interesting optical and chemical properties, as well as their utility in imaging, therapeutics, sensors, electronics, and catalysis. AuNPs are synthesized using multiple approaches, followed by chemical modification or encapsulation, to enhance their colloidal stability, biocompatibility, and targeting. Here, we report the one-step synthesis of gold-polyester nanoparticles for use as an imaging agent. The AuNPs were prepared inside polymeric NPs by means of ultraviolet irradiation of a gold salt in the presence of Irgacure I-2959 photoinitiator. We monitored the kinetic growth and nucleation of AuNPs (in vitro and ex vivo) over time using spectral analysis. Moreover, we investigated the cytotoxicity, localized plasmonic surface resonance (LSPR), and cellular imaging capabilities of the Au-polyester nanoparticles. The resulting Au-polyester NPs were characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), dynamic light scattering (DLS), and transmission electron microscopy (TEM) to probe their chemical structure, size, zeta potential (ζ), and morphology, respectively. Furthermore, in vitro experiments showed that the NP formulation is stable over time and exhibits negligible toxicity against 3T3 fibroblast and U-87 MG glioblastoma cells. The results also demonstrated that the Au-polyester NPs exhibit excellent cellular imaging properties. This one-step strategy goes beyond current syntheses of gold-polyester nanoparticles because it can be used to synthesize the imaging agent in situ (i.e., in living cells) in lieu of conventional ex situ approaches.

The combination of distinct peptide ligation techniques to facilitate chemical protein synthesis represents one of the long-standing goals in the field. A new combination ligation method of N-to-C sequential native chemical ligation and Ser/Thr ligation (NCL-STL) is described for the first time. This method relies on the peptide salicylaldehyde S , S -propanedithioacetal (SAL PDT )-ester prepared by a new 1,3-propanedithiol-mediated reaction. The peptide SAL PDT -ester, which is compatible with NCL, can be fully activated by N -chlorosuccinimide (NCS)/AgNO 3 in aqueous solution to afford peptide SAL-ester for use in the subsequent STL. The practicality of the combined NCL-STL method is illustrated by the synthesis of S-palmitoylated matrix-2 (S-palm M2) ion channel from Influenza A virus and S-palmitoylated interferon-induced transmembrane protein 3 (S-palm IFITM3). This approach expands the multiple-segments peptide ligation toolkit for producing important and complex custom-made protein samples by chemical protein synthesis.

We have prepared copper nanoclusters (Cu NCs) in the presence of bovine serum albumin (BSA) and 1,3-propanedithiol (PDT). The PDT/BSA-Cu NCs possess great activities against different types of bacteria, including non-multidrug-resistant bacteria (Escherichia coli, Salmonella Enteritidis, Pseudomonas aeruginosa, and Staphylococcus aureus) and multidrug-resistant bacteria (methicillin-resistant S. aureus). Their minimal inhibitory concentration (MIC) values are at least 242-fold and 10-fold lower than that of the free PDT and BSA-Cu NCs, respectively. The PDT/BSA-Cu NCs are strongly bound to the bacterial membrane, in which they induce the generation of ascorbyl (Asc) and perhydroxyl (HOO) radicals that result in disruption of their membrane integrity. At a concentration of 100-fold higher than their MIC for Escherichia coli, the PDT/BSA-Cu NCs exhibit negligible cytotoxicity towards the tested mammalian cells and show insignificant hemolysis. We have further demonstrated that low-cost PDT/BSA-Cu NCs-coated carbon fiber fabrics (CFFs) are effective against antibacterial growth, showing their great potential for antifouling applications., Competing Interests: Declaration of Competing Interest All authors have approved to the final version of the manuscript. The manuscript has not been previously published, in whole or in part, and is not under consideration by any other journal. We confirm that all authors are aware of and accept responsibility for the manuscript., (Copyright © 2019 Elsevier B.V. All rights reserved.)

In the present study, ultrasound was used to remove the residual solvent from the fragrant oil of red pepper seed obtained by subcritical propane extraction. The physical and chemical characteristics, particularly the volatile flavor compounds present of the oil before and after ultrasound-assisted desolventizing were comprehensively analyzed to determine the effect of the desolventizing process on product quality. The results showed that the maximum loss of residual solvent was achieved at a temperature of 90 °C maintained for 70 min with ultrasound applied during the entire process. After this treatment only a small amount of solvent (2.3% based on the total residual solvent originally present) remained in the oil. Although it was hypothesized that ultrasound treatment could result in the loss of volatile components, the analytical results showed no obvious reduction in the components associated with the typical aroma of the oil. After ultrasonic treatment, the oil also had good oxidation stability and quality. Additionally, after ultrasonic desolventizing, the oil samples were more suitable for cooking because they could more effectively minimize oxidation. Thus, these results demonstrate that this new ultrasonic technique is an effective and efficient method for removing the solvent remaining in fragrant oil after subcritical propane extraction., Competing Interests: Declaration of Competing Interest 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., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Oxidative dehydrogenation (ODH) of light alkanes to olefins-in particular, using vanadium-based catalysts-is a promising alternative to the dehydrogenation process. Here, we investigate how the activity of the vanadium phase in ODH is related to its dispersion in porous matrices. An attempt was made to synthesize catalysts in which vanadium was deposited on a microporous faujasite zeolite (FAU) with the hierarchical (desilicated) FAU as supports. These yielded different catalysts with varying amounts and types of vanadium phase and the porosity of the support. The phase composition of the catalysts was confirmed by X-ray diffraction (XRD); low temperature nitrogen sorption experiments resulted in their surface area and pore volumes, and reducibility was measured with a temperature-programmed reduction with a hydrogen (H 2 -TPR) method. The character of vanadium was studied by UV-VIS spectroscopy. The obtained samples were subjected to catalytic tests in the oxidative dehydrogenation of propane in a fixed-bed gas flow reactor with a gas chromatograph to detect subtract and reaction products at a temperature range from 400-500 °C, with varying contact times. The sample containing 6 wt% of vanadium deposited on the desilicated FAU appeared the most active. The activity was ascribed to the presence of the dispersed vanadium ions in the tetragonal coordination environment and support mesoporosity.

In this study, we investigate the viability of three-dimensional (3D) inkjet printing with UV curing to produce solid dosage forms containing a known poorly soluble drug, carvedilol. The formulation consists of 10 wt% carvedilol, Irgacure 2959, and a photocurable N-vinyl-2-pyrrolidone (NVP) and poly(ethylene glycol) diacrylate matrix, with the intention of forming an amorphous solid solution for release of carvedilol. Characterization of the printed tablets showed that the drug is an amorphous state and indicated hydrogen bonding interactions between the drug and cross-linked matrix. Several simple geometries (ring, mesh, cylinder, thin film) were printed, and the surface area to volume ratio of the prints was estimated. Over 80% carvedilol release was observed for all printed tablet geometries within ten hours. The release behaviour of carvedilol was fastest for the thin films, followed by the ring and mesh geometries, and slowest in the cylindrical forms. More rapid release was correlated to an increased surface area to volume ratio. This is the first study to implement 3D UV inkjet to make solid dispersion tablets suitable for poorly soluble drugs. Results also demonstrate that high drug-loaded tablets with a variety of release profiles can successfully be accessed with the same UV-curable inkjet formulation by varying the tablet geometry., Competing Interests: Declaration of Competing Interest 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., (Copyright © 2019. Published by Elsevier B.V.)

Six N-nitroaryl-2-amino-1,3-dichloropropane derivatives have been prepared and evaluated against 18 cancer cell lines and two non-cancerous cell lines. Analysis of cell viability data and IC 50 values indicated that the presence of a trifluoromethyl group in the nitroaryl moiety is an important structural feature associated with the compounds' cytotoxicities., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Chromatographic analysis of the Cumberland mudstone in Gale crater by the Sample Analysis at Mars (SAM) instrument revealed the detection of two to three isomers of dichlorobenzene. Their individual concentrations were estimated to be in the 0.5-17 ppbw range relative to the sample mass. We also report the first detection of trichloromethylpropane and the confirmation of the detection of chlorobenzene previously reported. Supporting laboratory experiments excluded the SAM internal background as the source of those compounds, thus confirming the organic carbon and chlorine of the newly detected chlorohydrocarbons are indigenous to the mudstone sample. Laboratory experiments also demonstrated that the chlorohydrocarbons were mainly produced from chemical reactions occurring in the SAM ovens between organic molecules and oxychlorines contained in the sample. The results we obtained show that meteoritic organics and tested chemical species (a polycyclic aromatic hydrocarbon, an amino acid, and a carboxylic acid) were plausible organic precursors of the chlorinated aromatic molecules detected with SAM, thus suggesting that they could be among the organic molecules present in the mudstone. Results from this study coupled with previously reported detections of chlorinated aromatics (<300 ppbw) indigenous to the same mudstone highlight that organics can be preserved from the harsh surface conditions even at shallow depth. The detection of new chlorohydrocarbons with SAM confirms that organic molecules should have been available in an environment favorable to life forms, strengthening the habitability aspect of Gale crater.

Background: Fungal infections are highly prevalent and are responsible for high rates of morbidity and mortality. In this context, the search for new treatment alternatives is very relevant., Objectives: Analyse chemical compounds for antifungal potential against dermatomycosis fungi., Methods: The antifungal activity of 121 compounds, intermediates or derivatives of 1,3-bis(aryloxy)propane substituted at C-2 (111 compounds) and isothiouronium derivatives (10 compounds) was investigated through susceptibility tests, mechanism of action, toxicity and hydrogel incorporation., Results: The compound 1,3-bis(3,4-dichlorophenoxy)propan-2-aminium chloride (2j) was the most active fungicide against dermatophytes and Candida spp., at very low concentrations (0.39-3.12 µg/mL), including action on resistant and multidrug-resistant clinical strains. Compound 2j has presented a promising toxicity profile, showing selectivity index >10, relative to human lymphocytes. The compound was classified as non-irritant by the HET-CAM test and did not cause histopathological alterations in pig ear skin, thus presenting an excellent perspective for topical application. 2j targets the fungal cell wall, which was confirmed by scanning electron microscopy, which also indicated the additional ability of 2j to inhibit the Candida albicans pseudohyphae formation and biofilm of Microsporum canis. Compound 2j was incorporated in a hydrogel with bioadhesive potential. The results of the human skin permeation showed that 2j remained significantly in the epidermis, ideally for the dermatomycosis treatment., Conclusions: Therefore, the compound 2j demonstrated the potential for antifungal drug development, with a action mechanism elucidated and already applied in a semisolid formulation as a new therapeutic option for fungal skin infections., (© 2019 Blackwell Verlag GmbH.)

Twenty-seven compounds, including a new diarypropane and two new lignans were isolated from the twigs and leaves of Endocomia macrocoma . Their structures were elucidated by spectroscopic analysis. Cytotoxicity evaluation of the new compounds against five human tumor lines showed no inhibitory effects.[Formula: see text].

A one-pot, three-component synthesis of benzimidazole-linked thiazolidines from 2-cyanomethyl benzimidazole, iso-, isothio-, or isoselenocyanates and 1,2-dichloroethane is reported. Isolation of the key intermediate formed during the course of the reaction validates its mechanistic pathway. Under the same reaction conditions, benzimidazole-linked/fused thiazinanes were obtained when 1,3-dichloropropane or diiodomethane was used.

Biofabrication with various hydrogel systems allows the production of tissue or organ constructs in vitro to address various challenges in healthcare and medicine. In particular, photocrosslinkable hydrogels have great advantages such as excellent spatial and temporal selectivity and low processing cost and energy requirements. However, inefficient polymerization kinetics of commercialized photoinitiators upon exposure to UV-A radiation or visible light increase processing time, often compromising cell viability. In this study, we developed a hydrogel crosslinking system which exhibited efficient crosslinking properties and desired mechanical properties with high cell viability, through a dual-photoinitiator approach. Through the co-existence of Irgacure 2959 and VA-086, the overall crosslinking process was completed with a minimal UV dosage during a significantly reduced crosslinking time, producing mechanically robust hydrogel constructs, while most encapsulated cells within the hydrogel constructs remained viable. Moreover, we fabricated a large PEGDA hydrogel construct with a single microchannel as a proof of concept for hydrogels with vasculature to demonstrate the versatility of the system. Our dual-photoinitiator approach allowed the production of this photocrosslinkable hydrogel system with microchannels, significantly improving cell viability and processing efficiency, yet maintaining good mechanical stability. Taken together, we envision the concurrent use of photoinitiators, Irgacure 2959 and VA-086, opening potential avenues for the utilization of various photocrosslinkable hydrogel systems in perfusable large artificial tissue for in vivo and ex vivo applications with improved processing efficiency and cell viability.

The growth of algae in water and the taste and odour compounds produced by algal metabolism present a threat to water quality, public health and aquatic ecosystems and cannot be effectively removed by conventional water treatment processes. In this paper, a hydroxyl radical (OH)-based drinking water treatment system (DWTS) with a capacity of 480 m 3 per day was built in the Xinglin water plant, Xiamen, China. With pretreatment at 0.88 mg L -1 , sand filtration, and disinfection at 0.31 mg L -1 during the conveyance of algae-laden water within only 9.8 s, OH removed all five kinds of algae, with a total content of 35,180 cells mL -1 , while ClO 2 treatment left live and dead algae at 7150 cells mL -1 , which would be transported into the pipe networks for the drinking water supply. Meanwhile, OH degraded 2-Methylisoborneol (2-MIB) from 175 to 4.4 ng L -1 , which was below the Chinese standard of 10 ng L -1 , while ClO 2 degraded 2-MIB only to 155 ng L -1 . Based on analyses of the mass spectra database, OH could mineralize 2-MIB by opening the ring structures of 2,2-dimethyl-1,3-cyclopentanedione and 2-methyl-cyclohexenecarboxaldehyde to produce small-molecule compounds. After OH pretreatment and OH disinfection, all water quality and disinfection by-product indexes met the Chinese Sanitary Standards for Drinking Water. Therefore, OH advanced oxidation produced using strong ionization discharge could be practically applied for the degradation of 2-MIB during the treatment of algae-laden water in the OH DWTS., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Applicability of pure propane gas for microdosimetric measurements in neutron fields was investigated using the FLUKA Monte Carlo code. Monoenergetic neutrons in the energy range 1 keV-20 MeV and the ISO-neutron sources such as 241Am-Be, 241Am-B, 252Cf and 252Cf + D2O were considered in the present study. The tissue-equivalent proportional counter (TEPC) simulated in the study was LET-1/2 (by Far West Technology) with site sizes 1, 2 and 8 μm. The study demonstrates that for a given site size, the TEPC filled with tissue-equivalent propane and pure propane gases produce similar microdosimetric distributions when the density of pure propane gas is lowered appropriately. For the ISO-neutron sources, the density of propane gas requires scaling by a factor 0.85. For the monoenergetic neutrons, depending upon the neutron energy, the values of scaling factors are in the range of 0.58-0.93., (© The Author(s) 2019. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.)

Most small molecule chemotherapeutics must cross one or more cellular membrane barriers to reach their biochemical targets. Owing to the relatively low solubility of chemotherapeutics in the lipid membrane environment, high doses are often required to achieve a therapeutic effect. The resulting systemic toxicity has motivated efforts to improve the efficiency of chemotherapeutic delivery to the cellular interior. Toward this end, liposomes containing lipids with cationic head groups have been shown to permeabilize cellular membranes, resulting in the more efficient release of encapsulated drugs into the cytoplasm. However, the high concentrations of cationic lipids required to achieve efficient delivery remain a key limitation, frequently resulting in toxicity. Toward overcoming this limitation, here, we investigate the ability of ternary lipid mixtures to enhance liposomal delivery. Specifically, we investigate the delivery of the chemotherapeutic, doxorubicin, using ternary liposomes that are homogeneous at physiological temperature but have the potential to undergo membrane phase separation upon contact with the cell surface. This approach, which relies upon the ability of membrane phase boundaries to promote drug release, provides a novel method for reducing the overall concentration of cationic lipids required for efficient delivery. Our results show that this approach improves the performance of doxorubicin by up to 5-fold in comparison to the delivery of the same drug by conventional liposomes. These data demonstrate that ternary lipid compositions and cationic lipids can be combined synergistically to substantially improve the efficiency of chemotherapeutic delivery in vitro.

A practical and efficient synthetic procedure to novel chromeno[3,2- d ]oxazoles through a one-pot sequential multistep process is presented. This procedure proceeds efficiently in propylene carbonate (PC) as a green solvent and affords a wide range of the chromenooxazole scaffolds.

In situ injection of Fe(II)-activated persulfate was carried out to oxidize chlorinated hydrocarbons and benzene, toluene, ethylbenzene, and xylene (BTEX) in groundwater in a contaminated site in North China Plain. To confirm the degradation of contaminants, an oxidant mixture of persulfate, ferrous sulfate, and citric acid was mixed with the main contaminants including 1,2,3-trichloropropane (TCP) and benzene before field demonstration. Then the mixed oxidant solution of 6 m 3 was injected into an aquifer with two different depths of 8 and 15 m to oxidize a high concentration of TCP, other kinds of chlorinated hydrocarbons, and BTEX. In laboratory tests, the removal efficiency of TCP reached 61.4% in 24 h without other contaminants but the removal rate was decreased by the presence of benzene. Organic matter also reduced the TCP degradation rate and the removal efficiency was only 8.3% in 24 h. In the field test, as the solution was injected, the oxidation reaction occurred immediately, accompanied by a sharp increase of oxidation-reduction potential (ORP) and a decrease in pH. Though the concentration of pollutants increased due to the dissolution of non-aqueous phase liquid (NAPL) at the initial stage, BTEX could still be effectively degraded in subsequent time by persulfate in both aquifers, and their removal efficiency approached 100%. However, chlorinated hydrocarbon was relatively difficult to degrade, especially TCP, which had a relatively higher initial concentration, only had a removal efficiency of 30%-45% at different aquifers and monitoring wells. These finding are important for the development of injection technology for chlorinated hydrocarbon and BTEX contaminated site remediation.

Pulmonary delivery is a highly attractive alternative to injections for biologics such as therapeutic proteins. However, bioavailabilities generally suffer from the presence of phagocytic cells that clear particulate matter entering the lung. In this study, microgel particles were developed using an all-aqueous two-phase system approach and evaluated for their efficacy as an inhalable controlled release system. Norbornene- and thiol-modified four- and eight-armed poly (ethylene glycol) with an average molecular mass of 10,000 Da were prepared as macromonomers for microgel formation. Emulsions of precursor solution droplets containing macromonomers and Irgacure 2959 as photocatalyst were prepared in a dextran solution. Irradiation with UV light was used to covalently crosslink the droplets by triggering the thiol-ene reaction. The resulting microgels were processed to dry powder inhaler formulations, and respirable aerodynamic sizes were assessed in vitro. Microgels were loaded with the model proteins lysozyme and bovine serum albumin, with encapsulation efficiencies of 51.5% and 73.6%, respectively. Depending on the macromonomer type, protein-loaded microgels released their cargo over a 6-14 day period. In an MTT assay, the particles did not show significant cytotoxicity, and their recognition by alveolar macrophages was considerably lower than for polystyrene control particles. This makes the microgels a promising pulmonary delivery system for proteins and other biologics., (Copyright © 2019 Elsevier B.V. All rights reserved.)

The anti-angiogenic agent, diamino propane tetraiodothyroacetic acid (DAT), is a thyro-integrin (integrin αvβ3) antagonist anticancer agent that works via genetic and nongenetic actions. Tetraiodothyroacetic acid (tetrac) and DAT as thyroid hormone derivatives influence gene expression after they transport across cellular membranes. To restrict the action of DAT to the integrin αvβ3 receptors on the cell surface, we used DAT-conjugated PLGA nanoparticles (NDAT) in an active targeting mode to bind to these receptors. Preparation and characterization of NDAT is described, and both in vitro and in vivo experiments were done to compare DAT to NDAT. Intracellular uptake and distribution of DAT and NDAT in U87 glioblastoma cells were evaluated using confocal microscopy and showed that DAT reached the nucleus, but NDAT was restricted from the nucleus. Pharmacokinetic studies using LC-MS/MS analysis in male C57BL/6 mice showed that administration of NDAT improved the area under the drug concentration curve AUC (0-48 h) by 4-fold at a dose of 3 mg/kg when compared with DAT, and C max of NDAT (4363 ng/mL) was 8-fold greater than that of DAT (548 ng/mL). Biodistribution studies in the mice showed that the concentrations of NDAT were higher than DAT/Cremophor EL micelles in heart, lung, liver, spleen, and kidney. In another mouse model using female NCr nude homozygous mice with U87 xenografts, tumor growth was significantly decreased at doses of 1 and 3 mg/kg of NDAT. In the chick chorioallantoic membrane (CAM) assay used to measure angiogenesis, DAT (500 ng/CAM) resulted in 48% inhibition of angiogenesis levels. In comparison, NDAT at low dose (50 ng/CAM) showed 45% inhibition of angiogenesis levels. Our investigation of NDAT bridges the study of polymeric nanoparticles and anti-angiogenic agents and offers new insight for the rational design of anti-angiogenic agents.

Polymerization reactions conducted inside cells must be compatible with the complex intracellular environment, which contains numerous molecules and functional groups that could potentially prevent or quench polymerization reactions. Here we report a strategy for directly synthesizing unnatural polymers in cells through free radical photopolymerization using a number of biocompatible acrylic and methacrylic monomers. This offers a platform to manipulate, track and control cellular behaviour by the in cellulo generation of macromolecules that have the ability to alter cellular motility, label cells by the generation of fluorescent polymers for long-term tracking studies, as well as generate a variety of nanostructures within cells. It is remarkable that free radical polymerization chemistry can take place within such complex cellular environments. This demonstration opens up a multitude of new possibilities for how chemists can modulate cellular function and behaviour and for understanding cellular behaviour in response to the generation of free radicals.

Background: Many conventional extraction methods for basils (Ocimum sp. Lamiaceae) produce only the extract as a usable product and leave the extracted herb as a waste product. We demonstrate partial extraction of chemically and morphologically diverse basil cultivars using propane at low temperature (20-27 °C) and pressure (950-1200 kPa) and evaluate the process for production of dual products, the extracted herb (raffinate) and the herb extract in terms of aromatic content and color., Results: The extracts contained aromatic compounds that were characteristic of but not always identical in terms of relative abundance to the dehydrated herb. Extraction decreased total aromatics in the raffinate by 12-43% but the individual aromatic proportions remained essentially the same, preserving flavor characteristics of the raffinate. Color was mostly unchanged by the extraction process., Conclusion: Partial propane extraction resulted in two useful basil products (an extract and extraction raffinate). Aromatic extractability was tissue and cultivar dependent for basils. Therefore, partial extraction protocols should be optimized according to cultivar/plant tissue abundance to provide consistent aromatic intensity of these potential food products. © 2019 Society of Chemical Industry., (© 2019 Society of Chemical Industry.)

Horisfieldones A (1) and B (2), two dimeric diarylpropanes featuring an unprecedentedly aromatic ring-contracted framework, were isolated from Horsfieldia kingii. Their structures and absolute configurations were determined by the inspection of extensive spectroscopic data and electronic circular dichroism calculations. Molecular modeling analysis, in vitro enzyme-based bioassays, and structure-activity relationship analysis of these isolates revealed that (+)-1 (IC 50 = 35.1 ± 3.9 μM, SI > 11.4) could present a new class of human DOPA decarboxylase inhibitor.

Propane is the main component of liquefied petroleum gas and is derived from crude oil processing. Methanotrophic bacteria can convert various alkanes using methane monooxygenase enzyme to primary alcohols. These are further oxidized to various aldehydes by alcohol dehydrogenases or methanol dehydrogenases. In this study, 2-propanol was produced from propane using the whole cells of Methylosinus trichosporium OB3b, Methylomicrobium alcaliphilum 20Z, and Methylomonas sp. DH-1 as the biocatalysts. The biocatalytic process of converting propane to 2-propanol was optimized by the use of several inhibitors and additives, such as EDTA, sodium phosphate, and sodium formate to prevent oxidation of 2-propanol to acetone and to enhance conversion of propane to propanol. The maximum titer of 2-propanol was 0.424 g/L, 0.311 g/L, and 0.610 g/L for Methylomonas sp. DH-1, M. alcaliphilum 20Z, and M. trichosporium OB3b whole cells, respectively. These results showed that type I and type II methanotrophs could be used as the potent biocatalyst for conversion of propane to propanol.

It is highly desirable to develop biodegradable UV-shielding materials from the renewable resources as the ever-increasing demand for the sustainable environment. In this work, TiO 2 decorated lignin particles (TiO 2 @lignin) were synthesized successfully by hydrothermal method in aqueous solution to improve the UV shielding performance of lignin particles. The poly(propylene carbonate) (PPC) composite films (thickness of ~23 μm) with different contents of TiO 2 @lignin were prepared via a blade-casting method. Morphological analysis showed that the TiO 2 @lignin dispersed uniformly in the PPC matrix with a good miscibility. UV-vis transmission spectra results revealed that the PPC composite film containing 5 wt% TiO 2 @lignin could absorb about 90% of UV light in the full UV band (200-400 nm), indicating the TiO 2 @lignin had a good UV-shielding property. Moreover, the presence of TiO 2 @lignin could significantly improve the thermal stability of the PPC/TiO 2 @lignin composite films. The DMA results showed that the introduction of TiO 2 @lignin could enhance the storage modulus and glass transition temperature simultaneously., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Membrane proteins play critical biochemical roles but remain challenging to study. Recently, native or nondenaturing mass spectrometry (MS) has made great strides in characterizing membrane protein interactions. However, conventional native MS relies on detergent micelles, which may disrupt natural interactions. Lipoprotein nanodiscs provide a platform to present membrane proteins for native MS within a lipid bilayer environment, but previous native MS of membrane proteins in nanodiscs has been limited by the intermediate stability of nanodiscs. It is difficult to eject membrane proteins from nanodiscs for native MS but also difficult to retain intact nanodisc complexes with membrane proteins inside. Here, we employed chemical reagents that modulate the charge acquired during electrospray ionization (ESI). By modulating ESI conditions, we could either eject the membrane protein complex with few bound lipids or capture the intact membrane protein nanodisc complex-allowing measurement of the membrane protein oligomeric state within an intact lipid bilayer environment. The dramatic differences in the stability of nanodiscs under different ESI conditions opens new applications for native MS of nanodiscs.

Background: Cancer can be considered as a disease in which normal cells start behaving badly, multiplying uncontrollably, ignoring signals to stop and accumulating to form a mass that is generally termed as a tumor. Apoptosis or programmed cell death is a physiological process that enables organisms to control their cell numbers in many developmental and physiological settings and to eliminate unwanted cells and it plays essential role in chemotherapy-induced tumor-cell killing. The correct balance between apoptosis and inhibition of apoptosis is important in animal development as well as in tissue homeostasis. The aim of this paper is to introduce the readers about the design strategy and synthesis of effective cytotoxic and apoptotic inducing agents based on benzo[d]imidazo[2,1-b]thiazole scaffold., Methods: Benzo[d]imidazo[2,1-b]thiazole-propenone conjugates were synthesized by the condensation of 7- methoxy-2-(aryl)benzo[d]imidazo[2,1-b]thiazol-3-yl)prop-2-yn-1-ones with aryl/hetero aryl amines in ethanol at room temperature. These in turn were obtained from 7-methoxy-2-(aryl)benzo[d]imidazo[2,1-b]thiazole-3- carbaldehydes on treatment with ethynylmagnesium bromide followed by oxidation., Results: 3-Arylaminopropenone linked 2-arylbenzo[d]imidazo[2,1-b]thiazole conjugates prepared in this investigation exhibited significant cytotoxic activity and arrested HeLa cancer cells in G1 phase. The treatment of the conjugate led to 40% of loss of mitochondrial membrane potential (DΨm) in HeLa cells and 4 fold increase in the levels of reactive oxygen species (ROS). In addition, it induces apoptosis in HeLa cells, this was examined by the wound healing assay, Actin filaments and Hoechst staining assay., Conclusion: The encouraging biological profile exhibited by these 3-arylaminopropenone 2-aryl linked benzo[d]imidazo[2,1-b]thiazole conjugates demonstrate that they have the potential to be developed as a lead by further structural modifications to obtain potential chemotherapeutic agents that are likely to target the HeLa cancer cells., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Traditional ionic liquids (ILs) catalysts suffer from the difficulty of product purification and can only be used in homogeneous catalytic systems. In this work, by reacting ILs with co-catalyst (ZnBr₂), we successfully converted three polyether imidazole ionic liquids (PIILs), i.e., HO-[Poly-epichlorohydrin-methimidazole]Cl (HO-[PECH-MIM]Cl), HOOC-[Poly-epichlorohydrin-methimidazole]Cl (HOOC-[PECH-MIM]Cl), and H₂N-[Poly-epichlorohydrin-methimidazole]Cl (H₂N-[PECH-MIM]Cl), to three composite PIIL materials, which were further immobilized on ZSM-5 zeolite by chemical bonding to result in three immobilized catalysts, namely ZSM-5-HO-[PECH-MIM]Cl/[ZnBr₂], ZSM-5-HOOC-[PECH-MIM]Cl/[ZnBr₂], and ZSM-5-H₂N-[PECH-MIM]Cl/[ZnBr₂]. Their structures, thermal stabilities, and morphologies were fully characterized by Fourier-transform infrared spectroscopy (FT-IR), X-ray diffractometry (XRD), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). The amount of composite PIIL immobilized on ZSM-5 was determined by elemental analysis. Catalytic performance of the immobilized catalysts was evaluated through the catalytic synthesis of propylene carbonate (PC) from CO₂ and propylene oxide (PO). Influences of reaction temperature, time, and pressure on catalytic performance were investigated through the orthogonal test, and the effect of catalyst circulation was also studied. Under an optimal reaction condition (130 °C, 2.5 MPa, 0.75 h), the composite catalyst, ZSM-5-HOOC- [PECH-MIM]Cl/[ZnBr₂], exhibited the best catalytic activity with a conversion rate of 98.3% and selectivity of 97.4%. Significantly, the immobilized catalyst could still maintain high heterogeneous catalytic activity even after being reused for eight cycles.

[M(sac) 2 (dppp)] (1 and 2), [M(dppp) 2 ](sac) 2 (3 and 4) and [M(sac) 2 (dppb)] (5 and 6) complexes, where M = Pd II (1, 3 and 5) and Pt II (2, 4 and 6), sac = saccharinate, dppp = 1,3-bis(diphenylphosphino)propane and dppb = 1,4-bis(diphenylphosphino)butane, were synthesized and characterized by IR, NMR, ESI-MS and X-ray diffraction. The anticancer activity of the complexes against human lung (A549), breast (MCF-7), prostate (DU145) and colon (HCT116) cancer cell lines showed that the cationic complexes of dppp (3 and 4) and neutral Pt complex of dppb (6) were the most active agents of series. 3 and 4 exhibited antiproliferative activity, while 6 was highly cytotoxic compared to cisplatin. These complexes were therefore subjected to further investigations to ascertain the possible role of lipophilicity, cellular uptake and DNA/HSA binding in their biological activity. Flow cytometry analysis revealed that complex 6 induced apoptotic cell death in A549 and HCT116 cells and caused the cell cycle arrest at the S phase and overproduction of reactive oxygen species (ROS), giving rise to mitochondrial depolarization and DNA damage., (Copyright © 2018 Elsevier Masson SAS. All rights reserved.)

Background: The aim of this study was to compare the in vitro antibacterial activity of two compounds derived from Alliaceae , PTS (propyl-propane-thiosulfinate), and PTSO (propyl-propane-thiosulfonate), with that of other antibiotics commonly used against bacteria isolated from humans., Materials and Methods: A total of 212 gram-negative bacilli and 267 gram-positive cocci isolated from human clinical samples and resistant to at least one group of antibiotics were selected. In order to determine the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) to various antibiotics as well as PTS and PTSO, all isolates underwent broth microdilution assay., Results: PTS showed moderate activity against Enterobacteriaceae with MIC 50 (and MBC 50 ) and MIC 90 (and MBC 90 ) values of 256-512 mg/L, while PTSO showed greater activity with MIC 50 and MIC 90 values of 64-128 mg/L and MBC 50 and MBC 90 values of 128-512 mg/L. These data show the bactericidal activity of both compounds and indicate that PTSO was more active than PTS against this group of bacteria. Both compounds showed lower activity against P. aeruginosa (MIC 50 = 1024 mg/L, MIC 90 = 2048 mg/L, MBC 50 = 2048 mg/L, and MBC 90 = 2048 mg/L, for PTS; MIC 50 = 512 mg/L, MIC 90 = 1024 mg/L, MBC 50 = 512 mg/L, and MBC 90 = 2048 mg/L, for PTSO) compared to those obtained in others nonfermenting gram-negative bacilli (MIC 50 = 128 mg/L, MIC 90 = 512 mg/L, MBC 50 = 128 mg/L, and MBC 90 = 512 mg/L, for PTS; MIC 50 = 64 mg/L, MIC 90 = 256 mg/L, MBC 50 = 64 mg/L, and MBC 90 = 256 mg/L, for PTSO) and also indicate the bactericidal activity of both compounds against these groups of bacteria. Finally, the activity against S. aureus , E. faecalis , and S. agalactiae was higher than that observed against enterobacteria, especially in the case of PTSO (MIC 50 = 8 mg/L, MIC 90 = 8 mg/L, MBC 50 = 32 mg/L, and MBC 90 = 64 mg/L, in S. aureus ; MIC 50 = 4 mg/L, MIC 90 = 8 mg/L, MBC 50 = 8 mg/L, and MBC 90 = 16 mg/L, in E. faecalis and S. agalactiae )., Conclusion: PTS and PTSO have a significant broad spectrum antibacterial activity against multiresistant bacteria isolated from human clinical samples. Preliminary results in present work provide basic and useful information for development and potential use of these compounds in the treatment of human infections.

Engineered P450s can catalyze some non-natural reactions with high efficiency and excellent selectivity, such as the carbine transfer, nitrene transfer, C-H insertion, and C-H amination, opening alternative routes for sustainable production of chemicals. Recent experiments revealed that two engineered cytochrome P450 enzymes (P450 BM3 -CIS and P411 BM3 -CIS) show different efficiencies and stereoselectivities in the olefin cyclopropanation, but key factors that affect the activity remain unclear. In this work, both quantum mechanics (QM) and QM/molecular mechanics (MM) methods were employed to explore the catalytic reactions and selectivity of these two engineered cytochrome P450 enzymes. On the basis of our results, the cyclopropanation of styrene is suggested to mainly occur on the open-shell singlet (OSS) and triplet state surfaces, which contain two elementary steps. The reactive iron(III)-porphyrin carbene (IPC) radical first attacks the terminal alkenyl group of styrene to form a C-radical intermediate, which then undergoes a cyclization reaction affording the cyclopropanation products. Importantly, it is found that the stereoselectivity of cyclopropanations is elucidated only if considering the real protein environment, and the stereoselectivity is determined by multiple factors, such as the relative orientation of IPC to styrene, the binding affinity of the substrate, and the reaction barriers of rate-limiting steps. It is the enzymatic environment that makes the reaction highly stereoselective, which provides useful clues for designing whole-cell catalysts for non-natural chemical reactions.