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High concentrations of Na + and NH 4 + in landfill leachate lead to deterioration of bentonite barrier and pose a threat to the environment. This study focused on the pollution interception and permeability characteristics of the bentonite barrier exposed to NaCl and NH 4 Cl solutions. Based on previous findings, salt solution concentrations were established at 74.80, 37.40, 18.70, and 9.4 mmol/L. The bentonite contents in the mixture were set at 0, 5, 10, and 15%. The results indicate that the samples exhibit better interception of NH 4 + compared to Na + . This difference arises from the cation exchange sequence, the size of the hydration radius, and the hydrogen bonding of the two cations. Additionally, the difference in hydration enthalpy between the two cations leads to variations in the swelling of bentonite, resulting in a higher hydraulic conductivity coefficient in NH 4 Cl solution. This study shows that although bentonite barriers have better interception for NH 4 + , they exhibit greater hydraulic conductivity in NH 4 Cl solution, increasing the risk of leachate carrying other contaminants., Competing Interests: The authors declare there is no conflict., (© 2024 The Authors This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (CC BY-NC-ND 4.0), which permits copying and redistribution for non-commercial purposes with no derivatives, provided the original work is properly cited (http://creativecommons.org/licenses/by-nc-nd/4.0/).)

Unidirectional liquid transport is critical in achieving high-performance moisture-management fabrics for medical care. However, realizing unidirectional liquid transport while simultaneously satisfying other requirements, such as antibacterial function, adhesiveness, low cytotoxicity, and adequate mechanical strength remains a challenge. In this study, Janus nanofibrous membranes exhibiting both unidirectional liquid transport and antibacterial activity were fabricated via electrospinning and a mild crosslinking procedure. This membrane provides continuous and spontaneous unidirectional water transport with a high one-way transport value (R) of 1483%. The membrane achieved antibacterial rates of 99.2% and 98.7% against E. coli and S. aureus, respectively, without leaching antibacterial agents. In addition, it has high elasticity and self-adhesive properties, which facilitates its use in a range of applications. The design of this versatile Janus nanofibrous membrane provides a new strategy for developing novel moisture-wicking systems, particularly in the field of medical dressings., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

An extracellular electron transfer (EET) process between an electroactive biofilm and an electrode is a crucial step for the performance of microbial fuel cells (MFCs), which is highly related to the enrichment of exoelectrogens and the electrocatalytic activity of the electrode. Herein, an efficient N- and Fe-abundant carbon cloth (CC) electrode with the comodification of iron porphyrin (FePor) and polyquaternium-7 (PQ) was synthesized using a facile solvent evaporation and immersion method and developed as an anode (named FePor-PQ) in MFCs. The surface structural characterizations confirmed the successful introduction of N and Fe atoms, whereas FePor-PQ achieved the N content of 9.59 at %, which may offer various active sites for EET. The introduction of PQ contributed to improving the surface hydrophilicity, providing the composite electrode good biocompatibility for bacterial attachment and colonization as well as substrate diffusion. Based on the advantages, the MFC with the FePor-PQ anode produced a maximum power density of 2165.7 mW m -2 , strikingly higher than those of CC (1124.0 mW m -2 ), PQ (1668.8 mW m -2 ), and FePor (1978.9 mW m -2 ). Furthermore, with the EET mediated by the binding of flavins and c-type cytochromes on the outer membrane was enhanced prominently, the typical exoelectrogen Geobacter was enriched up to 55.84% in the FePor-PQ anode biofilm. This work reveals a synergistic effect from heteroatom coating and surface properties tailoring to boost both the EET efficiency and exoelectrogen enrichment for enhancing MFC performance, which also provides valuable insights for designing electrodes in other bio-electrochemical systems.

The demand for the production of biodegradable plastics has significantly increased. Bioplastics have become an essential alternative to the threats of the daily consumable plastics, sourced from fossil fuels, to the environment. Polyhydroxyalkonates (PHAs) are a ubiquitous group of bioderived and biodegradable plastics, however their production is limited by the costs associated mainly with the carbon sources. Herein, this study aims to reduce the PHAs production cost by using a by-product from the dairy industry, i.e., cheese whey (CW), as a sole carbon source. The developed process recruits an aquatic isolate, Bacillus flexus Azu-A2, and is optimized via studying various parameters using the shaking flasks technique. The results showed that the maximum PHA production (0.95 g L -1 ) and PHA content (20.96%, w/w), were obtained after incubation period 72 h at 45 °C, 100 rpm agitation rate, 50% CWS concentration, pH 8.5, and 1.0 g L -1 ammonium chloride. Physiochemically, Fourier transform infrared spectroscopy (FTIR), gas chromatography-mass spectroscopy (GC-MS), nuclear magnetic resonance (NMR), and energy-dispersive X-ray (EDX) techniques, emphasized the type of the extracted PHA as polyhydroxybutyrate (PHB). The thermal properties of PHB were measured using differential scanning calorimetry (DSC), recording melting transition temperature (Tm) at 170.96 °C. Furthermore, a scanning electron microscope (SEM) visualized a homogenous microporous structure for the thin PHB biofilm. In essence, this study highlights the ability of Bacillus flexus Azu-A2 to produce a good yield of highly purified PHB at reduced production cost from dairy CW. Consequently, the current study paves the way for an improved whey management strategy., (Copyright © 2021 Elsevier B.V. All rights reserved.)

The major challenge in utilizing pesticides lies in identifying the precise application that would improve the efficiency of these pesticides and decline their environmental and health hazards at the same time. Such application requires the development of specific formulations that enable controlled, stimuli-responsive release of the pesticides. Gelatin is a relatively cheap material characterized by temperature-sensitivity and abundant amino acid groups, which makes it suitable for the storage and controlled release of pesticides. In this study, gelatin microspheres were prepared by emulsion and cross-linking, then they were loaded with 2,4-dichlorophenoxyacetic acid sodium (2,4-D Na) as a model herbicide. To achieve temperature-tunable release of 2,4-D Na from the microspheres, NH 4 HCO 3 was added to the formulations at different concentrations. The prepared formulations were characterized by SEM, FTIR, and size distribution analyzes, and their drug loading capacities were determined. Based on bioassay experiments, the 2,4-D Na-NH 4 HCO 3 -loaded gelatin microspheres can effectively control the spread of dicotyledonous weeds. Therefore, the strategy proposed herein can be used to develop novel, effective herbicide formulations., (© 2021. The Author(s), under exclusive licence to Springer Nature B.V.)

Background: There has been a great interest in developing strategies for enhancing antigen delivery to the mucosal immune system as well as identifying mucosal active immunostimulating agents. To elevate the potential of O-2'-Hydroxypropyl trimethyl ammonium chloride chitosan (O-2'-HACC) as an adjuvant and mucosal immune delivery carrier for DNA vaccine, we prepared the O-2'-HACC loaded with Newcastle disease virus (NDV) F gene plasmid DNA and C3d6 molecular adjuvant (O-2'-HACC/pFDNA microparticles)., Results: The O-2'-HACC/pFDNA exhibited a regular spherical morphology with a particle size of 202.3 ± 0.52 nm, a zeta potential of 50.8 ± 8.21 mV, encapsulation efficiency of 90.74 ± 1.10%, and a loading capacity of 49.84 ± 1.20%. The plasmid DNA could be sustainably released from the O-2'-HACC/pFDNA after an initial burst release. Intranasal vaccination of chickens immunized with O-2'-HACC/pFDNA not only induced higher anti-NDV IgG and sIgA antibody titers but also significantly promoted lymphocyte proliferation and produced higher levels of IL-2, IL-4, IFN-γ, CD4+, and CD8 + T lymphocytes compared with the NDV commercial live attenuated vaccine. Intranasal delivery of the O-2'-HACC/pFDNA enhanced humoral, cellular, and mucosal immune responses and protected chickens from the infection of highly virulent NDV compared with the intramuscular delivery., Conclusions: Collectively, our findings indicated that the O-2'-HACC could be used as a vaccine adjuvant and delivery system for mucosal immunity and have an immense application promise., (© 2021. The Author(s).)

Despite a significant number of investigations in the field of phosphazene chemistry, the formation mechanism of this class of cyclic compounds is still poorly studied. At the same time, a thorough understanding of this process is necessary, both for the direct production of phosphazene rings of a given size and for the controlled cyclization reaction when it is secondary and undesirable. We synthesized a series of short linear phosphazene oligomers with the general formula Cl[PCl2=N]n-PCl 3 + PCl 6 - and studied their tendency to form cyclic structures under the influence of elevated temperatures or in the presence of nitrogen-containing agents, such as hexamethyldisilazane (HMDS) or ammonium chloride. It was established that linear oligophosphazenes are inert when heated in the absence of the mentioned cyclization agents, and the formation of cyclic products occurs only when these agents are involved in the process. The ability to obtain the desired size phosphazene cycle from corresponding linear chains is shown for the first time. Known obstacles, such as side interaction with the PCl 6 - counterion and a tendency of longer chains to undergo crosslinking elongation instead of cyclization are still relevant, and ways to overcome them are being discussed.

The mechanism for protein stabilization or destabilization has long been an open quest. In the present study, we have studied the interactions between amino acids and guanidinium (Gdm + )/ammonium (NH 4 + ) ions by using low field nuclear magnetic resonance (LF-NMR), where Gdm + and NH 4 + are denaturant and stabilizer for proteins, respectively. It shows that Gdm + favors to bind to the thiol group or the hydroxyl group on the side chain but weakly interacts with the α-carboxyl group. In contrast, NH 4 + prefers to bind to the α-carboxyl group but slightly interacts with the thiol group or the hydroxyl group on the side chain of amino acids. 1 HNMR reveals the hydrogen bonding between NH 4 + and the α-carboxyl group, which is not involved in the interactions between Gdm + and cysteine. Our study demonstrates that the strong interactions between the denaturant and the sulfur atom or the disulfide bond promote the direct binding of the denaturant toward proteins, leading to the destabilization., (Copyright © 2021 Elsevier Inc. All rights reserved.)

A new extraction procedure based on combination of a solvent extraction and deep eutectic solvent based dispersive liquid-liquid microextraction has been introduced for the extraction of aflatoxin M 1 from cheese samples. In this method, acetonitrile, deionized water, and n-hexane are added onto the sample and vortexed. Owning to different affinities of the substances in cheese toward the mentioned solvents, an efficient and selective extraction of the analyte is done in the acetonitrile phase. After centrifugation, the acetonitrile phase is removed and mixed with a new hydrophobic deep eutectic solvent prepared from N,N-diethanol ammonium chloride and carvacrol as an extraction solvent. The mixture is injected into deionized water, and a cloudy solution is obtained. Eventually, an aliquot of the organic phase is injected into high-performance liquid chromatography-fluorescence detection. After optimizing the effective parameters with the response surface methodology and a quadratic model, limits of detection and quantification were 0.74 and 2.56 ng/kg, respectively. The obtained extraction recovery and enrichment factor were 94% and 94, respectively. Also, intra- (n = 6) and interday (n = 4) precisions were less than or equal to 8.6% at a concentration of 5 ng/kg. The suggested method was applied to determine aflatoxin M 1 in different cheese samples., (© 2021 Wiley-VCH GmbH.)

Tuberculosis is the leading cause of death globally among infectious diseases. Due to the development of resistance of Mycobacterium tuberculosis to currently used anti-TB medicines and the TB-HIV synergism the urgent need to develop novel anti-mycobacterial agents has been realized. The drug-to-target path has been the successful strategy for new anti-TB drug development. All the six drug candidates that have shown promise during the clinical trials and some of these being approved for treatment against MDR TB are the results of phenotype screening of small molecule compound libraries. In search of compounds belonging to novel pharmacophoric class that could be subjected to whole cell assay to generate new anti-TB leads the benzo[d]imidazole-2-carboxamide moiety has been designed as a novel anti-TB scaffold. The design was based on the identification of the benzimidazole ring as a prominent substructure of the FDA approved drugs, the structural analysis of reported anti-TB benzimidazoles, and the presence of the C-2 carboxamido functionality in novel bioisoteric anti-TB benzothiazoles. Twenty seven final compounds have been prepared via NH 4 Cl-catalyzed amidation of ethyl benzo[d]imidazole-2-carboxylates, as the required intermediates, obtained through a green "all water" one-pot synthetic route following a tandem N-arylation-reduction-cyclocondensation procedure. All of the synthesised target compounds were assessed for anti-TB potential using H 37 Rv ATCC27294 strain. Thirteen compounds were found with better MIC (0.78-6.25 µg/mL) than the standard drugs and being non-cytotoxic nature (<50% inhibition against RAW 264.7 cell lines at 50 µg/mL). The compound 8e exhibited best anti-TB activity (MIC: 2.15 µM and selectivity index: > 60) and a few others e.g., 8a, 8f, 8k and 8o are the next best anti-TB hits (MIC: 1.56 µg/mL). The determination and analysis of various physiochemical parameters revealed favorable druglike properties of the active compounds. The compounds 8a-l and 8o, with MIC values of ≤ 6.25 μg/mL, have high LipE values (10.66-11.77) that are higher than that of the suggested value of > 6 derived from empirical evidence for quality drug candidates and highlight their therapeutic potential. The highest LipE value of 11.77 of the best active compound 8e with the MIC of 0.78 μg/mL indicates its better absorption and clearance as a probable clinical candidate for anti-TB drug discovery. These findings highlight the discovery of benzimidazole-2-carboxamides for further development as new anti-TB agents., (Copyright © 2020 Elsevier Inc. All rights reserved.)

A novel jellyfish-shaped triazine hexamer quaternary ammonium chloride surfactant (TH 12 QC) was synthesized, which consisted of one triazine spacer group and six long flexible hydrophobic chains. The molecular structure and aggregation behavior of TH 12 QC was investigated by nuclear magnetic resonance (NMR), surface tension, electrical conductivity, dynamic light scattering (DLS), transmission electron microscope (TEM), etc. The results show that the jellyfish-shaped TH 12 QC has better surface activity and lower surface tension than traditional ionic and Gemini surfactants in aqueous solution. There are two inflection points in the curve of conductivity versus concentration of the TH 12 QC aqueous solution, which correspond to the critical aggregation concentration (CAC) and the critical micelle concentration (CMC) respectively. The existence of CAC indicates that there is a pre-aggregation process before TH 12 QC forms micelles. The results of DLS and TEM show that network pre-aggregation, spherical aggregation and dense spherical aggregation were observed in different concentration of TH 12 QC aqueous solution, and the electrostatic equilibrium of the system subtly depends on the concentration of the solution. In addition, intramolecular and intermolecular hydrogen bonding is also an important factor. This study provides a method for studying the aggregation behavior and morphology of oligomeric surfactants with rigid spacer groups.

In the present study, coumarin-bearing three pyridinium and three tetra-alkyl ammonium salts were synthesized. The compounds were fully characterized by 1 H- and 13 C-NMR, LC/MS and IR spectroscopic methods and elemental analyses. The cytotoxic properties of all compounds were tested against human liver cancer (HepG2), human colorectal cancer (Caco-2) and non-cancer mouse fibroblast (L-929) cell lines. Some compounds performed comparable cytotoxicity with standard drug cisplatin. Antibacterial properties of the compounds were tested against Gram-negative Escherichia coli and Gram-positive Bacillus subtilis bacteria, but the compounds did not have any antibacterial effect against both bacteria. Enzyme inhibitory properties of all compounds were tested on the activities of human carbonic anhydrase I and II, and xanthine oxidase. All compounds inhibited both enzymes more effectively than standard drugs, acetazolamide and allopurinol, respectively. The biological evaluation results showed that ionic and water soluble coumarin derivatives are promising structures for further investigations especially on enzyme inhibition field., (© 2020 Wiley-VHCA AG, Zurich, Switzerland.)

Specific monovalent cation effects on the domain-domain interaction of heterogeneous dimeric protein were investigated using green fluorescent protein (GFP)-glutathione-s-transferase (GST) fusion protein as a model protein. Conjugating N-terminal of GST domain with a fluorescence probe Cyanine3, complementary increase and decrease of fluorescence intensities of Cyanine3 and GFP were recognized on the exclusive excitation of GFP and further the fluorescence decay of GFP was remarkably accelerated to show that an excellent Förster type of resonance excitation energy transfer (FRET) pair was constructed between GFP- and GST-domain. The spectral overlap integral and critical distance of the FRET pair were estimated to be 5.96×10 13 M -1 cm 3 and 62.5 Å, respectively. The FRET rate and efficiency evaluated by fluorescence lifetime of the energy donor, GFP, were influenced by the monovalent cations included in the buffer solution to suggest that the domain-domain interactions of GFP-GST fusion protein would be susceptible to cation species and their concentrations. The order affecting the domain-domain interaction was estimated to be Li + >NH 4 + >Na + >K + >Cs + , almost corresponding to the reverse Hofmeister series.

Flocculant made from natural polymers has the advantages of abundant source, affordable cost and environmental friendliness. In this work, a binary flocculant (sodium alginate-dimethyl diallyl ammonium chloride, SAD) was successfully prepared using microwave assisted free radical copolymerization technique. Based on the flocculation properties of yellow 7GL dye, the synthetic process was optimized with the amount of initiator was 0.8 wt% (equal molar ratio of ammonium peroxydisulfate and sodium bisulfite as complex initiator), sodium alginate: dimethyl diallyl ammonium chloride = 1:1 (molar ratio), and the microwave irradiation time was 18 min at the power of 280 W. The experimental results show that the color removal ratio was 73.5% at the SAD dosage of 425 mg/L for the 100 mg/L yellow 7GL simulated wastewater. The SAD also maintained excellent decolorization ratios under a wide range of flocculant dosage and environmental pH. The flocculation mechanism might be the combination of charge neutralization and bridging effect. The prepared SAD flocculant has the virtues of simple synthesis process, ecofriendliness and high decolorization ratio, which make it broad application prospect in the treatment of dye wastewater., Competing Interests: Declaration of competing interest The authors declare no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier B.V. All rights reserved.)

Official method in Ph. Eur. for evaluation of timolol enantiomeric purity is normal-phase high performance liquid chromatography (NP-HPLC) method. Compared to other HPLC modes, NP is depicted as quite expensive with high consumption of organic solvents which leads to chronic exposure of analysts to toxic and carcinogenic effects. In order to overcome above-mentioned drawbacks, the aim of this study was to develop new method with better eco-friendly features. This was enabled by using protein type Chiral Stationary Phase (CSP) in reversed-phase mode that required up to 10 % (v/v) of organic solvent. Therefore, an enantioselective HPLC method was developed and validated for quantification of (S)-timolol and its chiral impurity, (R)-isomer. Optimized separation conditions on ovomucoid column were set using Analytical Quality by Design (AQbD) approach in method development. Optimization step was performed following the Box-Behnken experimental plan and the influence of three critical method parameters (CMPs) towards enantioseparation of the above-mentioned peak pair was examined. CMPs included variation of acetonitrile content in the mobile phase (5-10 %, v/v), pH value of the aqueous phase (6.0-7.0) and ammonium chloride concentration in the aqueous part of the mobile phase (10-30 mmol L -1 ). The most relevant critical method attributes (CMAs) in this case were the separation criterion between studied critical pair and retention factor of the second eluting peak, (S)-timolol. Qualitative Design Space (DS) was defined by Monte Carlo simulations providing adequate assurance of method's qualitative robustness (π = 95 %). The selected working point situated in the middle of the DS was characterized by following combination of CMPs: acetonitrile content in the mobile phase 7 % (v/v), pH value of the aqueous phase 6.8 and concentration of ammonium chloride in aqueous phase 14 mmol L -1 . In the next step, the quantitative robustness was tested by Plackett-Burman experimental design. The validation studies confirmed adequacy of the proposed method for its intended purpose. Finally, Analytical Eco-Scale metric tool was applied to confirm that developed method represents excellent green analytical method compared to the official one., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Objective: The study aims at the derivatization of "Phthalides" and synthesizes 3- arylaminophthalides & 3-indolyl-phthalides compounds, and evaluates their anti-tubercular and antioxidant activities. The study has also intended to employ the in silico methods for the identification of possible drug targets in Mycobacterium and evaluate the binding affinities of synthesized compounds., Methods: This report briefly explains the synthesis of phthalide derivatives using ammonium chloride. The synthesized compounds were characterized using spectral analysis. Resazurin Microtiter Assay (REMA) plate method was used to demonstrate the anti-mycobacterial activity of the synthesized compounds. An in-silico pharmacophore probing approach was used for target identification in Mycobacterium. The structural level interaction between the identified putative drug target and synthesized phthalides was studied using Lamarckian genetic algorithm-based software., Results and Discussion: In the present study, we report an effective, environmentally benign scheme for the synthesis of phthalide derivatives. Compounds 5c and 5d from the current series appear to possess good anti-mycobacterial activity. dCTP: deaminasedUTPase was identified as a putative drug target in Mycobacterium. The docking results clearly showed the interactive involvement of conserved residues of dCTP with the synthesized phthalide compounds., Conclusion: On the eve of evolving anti-TB drug resistance, the data on anti-tubercular and allied activities of the compounds in the present study demonstrates the enormous significance of these newly synthesized derivatives as possible candidate leads in the development of novel anti-tubercular agents. The docking results from the current report provide a structural rationale for the promising anti-tubercular activity demonstrated by 3-arylaminophthalides and 3-indolyl-phthalides compounds., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

An eight-year field trial was conducted to investigate the effects of four different N fertilization treatments of urea (CO(NH 2 ) 2 , the control), ammonium sulfate ((NH 4 ) 2 SO 4 ), ammonium chloride (NH 4 Cl), and ammonium hydrogen phosphate [(NH 4 ) 2 HPO 4 ]) on cadmium (Cd) phytotoxicity in rice and soil microbial communities in a Cd-contaminated paddy of southern China. The results demonstrate that the different N treatments exerted different effects: the application of (NH 4 ) 2 HPO 4 and (NH 4 ) 2 SO 4 significantly increased rice grain yield and decreased soil-extractable Cd content when compared with those of the control, while NH 4 Cl had a converse effect. Expression of genes related to Cd uptake (IRT and NRAPM genes) and transport (HMA genes) by roots may be responsible for Cd phytotoxicity in rice grown in the different N fertilization treatments. Our results further demonstrate that N fertilization had stronger effects on soil bacterial communities than fungal communities. The bacterial and fungal keystone species were identified by phylogenetic molecular ecological network (pMEN) analysis and mainly fell into the categories of Gammaproteobacteria, Acidobacteria and Actinobacteria for the bacterial species and Ascomycota for the fungal species; all of these keystone species were highly enriched in the (NH 4 ) 2 HPO 4 treatment. Soil pH and soil available-Cd content emerged as the major determinants of microbial network connectors. These results could provide effective fertilizing strategies for alleviating Cd phytotoxicity in rice and enhance the understanding of its underlying microbial mechanisms., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

A nitrogen doped bio-carbon catalyst with high specific surface area and a hierarchical interconnected porous structure was fabricated by an in situ gas-foaming strategy from sodium alginate and ammonium chloride. The optimized catalyst displays a fabulous ORR activity, providing a facile approach for the mass production of metal-free bio-carbon catalysts in fuel cells and metal-air batteries.

Simultaneous quantification of short-, medium-, and long-chain chlorinated paraffins (CPs) in environmental matrices is challenging and has received much attention from environmental chemists. In this study, ammonium-chloride-enhanced liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) was developed for the first time to quantify CPs in sediments and aqueous samples. Three ionization sources, including atmospheric pressure chemical ionization (APCI), electrospray ionization (ESI), and thermal-assisted-ESI, were employed to examine the performance of ammonium chloride as the chloride ion supply reagent in comparison with traditional chloride ion supply reagent, dichloromethane. Ammonium chloride can be easily used with reversed-phase liquid chromatography (LC), whereas dichloromethane is not compatible with aqueous LC mobile phase. Furthermore, other anion-supply reagents, such as ammonium formate, ammonium acetate, and ammonium bromide, were also tested. It was concluded that the adducts of the CPs with the anions were reversible and could partially dissociate into deprotonated CP ions. The yield of deprotonated CP ions was associated with the gas-phase basicity of the deprotonated CP ions and the corresponding anions. Furthermore, collision-induced dissociation curves were drawn to quantify the stability of anionic CP adducts. The ammonium-chloride-enhanced LC-HRMS was further employed for identifying CPs in sediment samples and coupled with an online SPE method for detecting CPs in aqueous samples. This study may significantly contribute to the qualification and quantification of CPs in environmental matrices., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Simultaneous determination of nitrate (NO 3 ‾ ) and nitrite (NO 2 ‾ ) in vegetables was performed on a poly(1-vinylimidazole-co-ethylene dimethacrylate) (VIM-EDMA) monolithic column by capillary liquid chromatography (LC) with UV detection. Good linearity (0.5-100 μg mL -1 i.e. 12.5 -2500 μg g -1 in vegetables) was obtained with coefficient of determination > 0.996. Limits of detection (signal-to-noise ratio: S/N= 3) were estimated at 0.06 and 0.05 μg mL -1 , which corresponded to 1.50 and 1.25 μg g -1 for NO 2 ‾ and NO 3 ‾ , respectively, in vegetables. The limits of quantification (S/N= 10) were estimated at 0.17 and 0.16 μg mL -1 (4.25 and 4.00 μg g -1 in vegetables) for NO 2 ‾ and NO 3 ‾ , respectively. Although the detection limits were relatively higher than other LC-UV techniques, this proposed method offered satisfactory sensitivity for complying the Acceptable Daily Intake (ADI) levels set by EU to monitor the occurrence of NO 2 ‾ and NO 3 ‾ in vegetables. The intra-day/inter-day precision (0.14-3.35%/0.06-6.93%) and accuracy (90.33-103.32%/96.00-101.26%) were also examined for method validation. No obvious carry-over and decline of separation efficiency were observed for more than 200 analyses of real samples. The occurrence of NO 2 ‾ and NO 3 ‾ in various vegetable samples was investigated to demonstrate the potential of utilizing the developed polymeric monolith-based capillary LC-UV method for food safety application., (Copyright © 2019 Elsevier B.V. All rights reserved.)

The main objective of this study is to explore the influence of ion composition on the trans-membrane potential across the ion exchange membrane (IEM), and thus offers a reference for the deep insight of "reverse electrodialysis heat engine" running in the composite systems. In comparison to the natural system (river water | seawater), the performance of the reverse electrodialysis (RED) stack was examined using NaHCO 3 , Na 2 CO 3 , and NH 4 Cl as the supporting electrolyte in the corresponding compartment. The effect of flow rates and the concentration ratio in the high salt concentration compartment (HCC)/low salt concentration compartment (LCC) on energy generation was investigated in terms of the open-circuit voltage (OCV) and power density per membrane area. It was found that the new system (0.49 M NaCl + 0.01 M NaHCO 3 |0.01 M NaHCO 3 ) output a relatively stable power density (0.174 W·m -2 ), with the open-circuit voltage 2.95 V under the low flow rate of 0.22 cm/s. Meanwhile, the simulated natural system (0.5 M NaCl|0.01 M NaCl) output the power density 0.168 W·m -2 , with the open-circuit voltage 2.86 V under the low flow rate of 0.22 cm/s. The findings in this work further confirm the excellent potential of RED for the recovery of salinity gradient energy (SGP) that is reserved in artificially-induced systems (wastewaters).

This research describes a simple and efficient one-pot synthetic approach for the preparation of tetrahydrodiazepine and dihydropyrazine (or dihydroquinoxaline) derivatives in high yields in the presence of a substoichiometric amount of ammonium chloride as a green accelerator on water at 50 °C within 1-3 h.

In the present study, NH 4 Cl-modified activated carbon was synthesized from rice husk and used as an adsorbent for removal of hinosan from underground waters. The effect of some effective parameters on the adsorption of hinosan on the rice husk NH 4 Cl-modified activated carbon (RHNAC) like pH, adsorbent dose, contact time, and temperature was evaluated in batch mode and the optimum conditions were determined. Kinetic of adsorption was studied by Langmuir and Freundlich's models. The equilibrium data were well fitted to the Langmuir isotherm model, and the maximum adsorption capacity of hinosan on RHNAC based on the Langmuir isotherm model was 81.366 mg g -1 . The experimental adsorption data had the best fitness with the pseudo-second-order kinetic model. The applicability of the prepared adsorbent (RHNAC) was compared with other activated carbons (ZnCl 2 -modified activated carbon was prepared from rice husk and industrial activated carbon). The obtained results which were calculated from the selected adsorbents showed more desirability for RHNAC as an adsorbent. So, RHNAC could be introduced as an effective and cost-effective adsorbent for removal of hinosan from underground waters. Graphical abstract.

Owing to insufficient active sites, strongly bound excitons and insufficient optical absorption, polymer semiconductors have only shown mild activity as potential candidates for photocatalysis. A g-C 3 N 4 with improved optical absorption capacity, charge transfer performance and porosity was successfully prepared by a one-step NH 4 Cl-assisted route. Interaction of melamine with NH 4 Cl preparation of Porous g-C 3 N 4 (CN-xy) with active functional groups modified pore wall shown to result in highly crystalline species with a maximum π-π layer stacking distance of heptazine units of 0.321 nm, decreases the optical band gap from 2.80 to 2.13 eV and maximum surface area reached 56.485 m 2  g -1 . The balanced improvement of the multiple defects of g-C 3 N 4 makes the photocatalytic degradation of RhB and the photocatalytic hydrogen production efficiency 4 and 5 times higher than the pristine g-C 3 N 4 , respectively., (Copyright © 2019 The Authors. Published by Elsevier Ltd.. All rights reserved.)

Hypotheses: By selecting constituent polyelectrolytes and controlling conditions of their deposition, the resulting polyelectrolyte multilayers can be designed as surface coatings with controlled adhesive properties with respect to viruses. Charge and hydrophilicity of the polyelectrolyte multilayers govern virus adhesion., Experiments: Four surfaces of different charges and hydrophobicities were designed using a layer-by-layer assembly of poly(styrene-4-sulfonate) and poly(dimethyl diallyl ammonium chloride). Contact angle measurements gave an estimate of MS2 hydrophilicity in terms of free energy of interfacial interaction in water. Experimental results on MS2 adhesion obtained using quartz crystal microbalance with dissipation monitoring were compared with predictions by the extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) theory., Findings: MS2 deposition onto polyelectrolyte multilayers occurred in two phases: an early phase defined by virus-surface interactions and a later phase with virus-virus interactions controlling deposition kinetics. Principal component analysis showed that the deposition rates in the two phases were independent one of another and that each was correlated to the depth of the secondary minimum of the corresponding XDLVO energy profile. Hydrophobic and electrostatic interactions governed the deposition process: short range hydrophilic repulsion prevented deposition into the primary minimum while electrostatic interactions defined the dependence of the deposition kinetics on the ionic strength. Different surfaces showed distinct kinetics of and capacities for MS2 deposition pointing to the potential of polyelectrolyte multilayers as easy-to-apply coatings for regulating virus adsorption, inactivating viruses via the virucidal action of cationic polyelectrolytes and reducing human exposure to viruses., (Copyright © 2019 Elsevier Inc. All rights reserved.)

Specimens of silica sand treated via enzyme induced carbonate precipitation (EICP) showed surprisingly high strength at a relatively low carbonate content when non-fat powdered milk was included in the treatment solution. EICP is a biologically-based soil improvement technique that uses free urease enzyme to catalyze the hydrolysis of urea in an aqueous solution, producing carbonate ions and alkalinity that in the presence of calcium cations leads to precipitation of calcium carbonate. The strength achieved at less than 1.4% carbonate content via a single cycle of treatment was unprecedented compared to results reported in the literature from both EICP and microbially induced carbonate precipitation (MICP). Scanning electron microscope images show that in the specimens treated with the solution containing powdered milk the carbonate precipitate was concentrated at interparticle contacts. The impact of these results include reductions in the concentration of substrate and enzyme required to achieve a target compressive strength, reduction in the undesirable ammonium chloride by-product, and, depending on the desired strength, reduction in the number of cycles of EICP treatment. These advantages enhance the potential for development of a sustainable method of soil improvement via hydrolysis of urea.

Matrix-assisted laser desorption/ionization imaging high-resolution mass spectrometry (MALDI-imaging-HRMS) is an important technique for visualizing the spatial distribution of compounds directly on the surface of organisms such as microorganisms, insects, plants, animals, and human tissues. However, MALDI-imaging-HRMS and the stable isotope labeling approach have never been combined for the detection and simultaneous visualization of labeled and unlabeled compounds, their analogues and derivatives, as well as their precursors. Herein, we present a methodology that labels microbial secondary metabolites directly on agar with stable isotopes and allows concurrent spatial distribution analyses by MALDI-imaging-HRMS. Using a thin film of labeled agar supplemented with [1- 13 C]-l-proline, [methyl-D 3 ]-l-methionine, 15 NH 4 Cl, or [ 15 N]-l-serine overlaid on unlabeled agar, we demonstrate the incorporation of labeled precursors into prodiginines and serratamolides produced by an endophytic bacterium, Serratia marcescens, by MALDI-imaging-HRMS and HPLC-HRMS. Further, we show the incorporation of CD 3 into prodigiosin as well as its characteristic fragments directly by MALDI-imaging-HRMS 2 . Our methodology has several advantages over currently existing techniques. First, both labeled and unlabeled compounds can be visualized simultaneously in high spatial resolution along with their labeled and unlabeled precursors. Second, by using a thin film of labeled agar, we utilize minimum amounts of expensive labeled compounds (1-3 mg) ensuring a cost-effective method for investigating biosynthetic pathways. Finally, our method allows in situ visualization and identification of target and nontarget compounds without the need of isolating the compounds. This is important for compounds that are produced by microorganisms in low, physiologically, or ecologically relevant concentrations.

As phenylalanine dehydrogenase (PheDH) plays an important role in the synthesis of chiral drug intermediates and detection of phenylketonuria, it is significant to obtain a PheDH with specific and high activity. Here, a PheDH gene, pdh, encoding a novel BhPheDH with 61.0% similarity to the known PheDH from Microbacterium sp., was obtained. The BhPheDH showed optimal activity at 60 °C and pH 7.0, and it showed better stability in hot environment (40-70 °C) than the PheDH from Nocardia sp. And its activity and thermostability could be significantly increased by sodium salt. After incubation for 2 h in 3 M NaCl at 60 °C, the residual activity of the BhPheDH was found to be 1.8-fold higher than that of the control group (without NaCl). The BhPheDH could tolerate high concentration of ammonium chloride and its activity could be also enhanced by the high concentration of ammonium salts. These characteristics indicate that the BhPheDH possesses better thermostability, ammonium chloride tolerance, halophilic mechanism, and high salt activation. The mechanism of thermostability and high salt tolerance of the BhPheDH was analyzed by molecular dynamics simulation. These results provide useful information about the enzyme with high-temperature activity, thermostability, halophilic mechanism, tolerance to high concentration of ammonium chloride, higher salt activation and enantio-selectivity, and the application of molecular dynamics simulation in analyzing the mechanism of these distinctive characteristics.

Fission yeast 'cut' mutants show defects in temporal coordination of nuclear division with cytokinesis, resulting in aberrant mitosis and lethality. Among other causes, the 'cut' phenotype can be triggered by genetic or chemical perturbation of lipid metabolism, supposedly resulting in shortage of membrane phospholipids and insufficient nuclear envelope expansion during anaphase. Interestingly, penetrance of the 'cut' phenotype in mutants of the transcription factor cbf11 and acetyl-coenzyme A carboxylase cut6, both related to lipid metabolism, is highly dependent on growth media, although the specific nutrient(s) affecting 'cut' occurrence is not known. In this study, we set out to identify the growth media component(s) responsible for 'cut' phenotype suppression in Δcbf11 and cut6-621 cells. We show that mitotic defects occur rapidly in Δcbf11 cells upon shift from the minimal EMM medium ('cut' suppressing) to the complex YES medium ('cut' promoting). By growing cells in YES medium supplemented with individual EMM components, we identified ammonium chloride, an efficiently utilized nitrogen source, as a specific and potent suppressor of the 'cut' phenotype in both Δcbf11 and cut6-621. Furthermore, we found that ammonium chloride boosts lipid droplet formation in wild-type cells. Our findings suggest a possible involvement of nutrient-responsive signaling in 'cut' suppression.

Fresh water cyanobacterial algal blooms represent a major health risk because these organisms produce cylindrospermopsin, a toxic, structurally complex, zwitterionic uracil-guanidine alkaloid recognized by the EPA as a dangerous drinking water contaminant. At present, the ability to detect and quantify the presence of cylindrospermospin in water samples is severely hampered by the lack of an isotopically labeled standard for analytical mass spectrometry. Herein, we present a concise, scaled total synthesis of 15 N cylindrospermosin from 15 N ammonium chloride, which leverages a unique stereoselective intramolecular double conjugate addition step to assemble the tricyclic guanidine core. In addition to providing the first pure isotopically labeled probe for precise quantification of this potent biotoxin in fresh water sources, our results demonstrate how unique constraints associated with isotope incorporation compel novel solutions to synthesis design.

The fungus Aspergillus japonicus MF275 produces himeic acid A (1), containing a 4-pyrone ring, along with its congeners, himeic acids B (2) and C (3). During culture, 1 was gradually converted to 3, the corresponding 4-pyridone derivative. A study of the relationship between the culture pH and the fungal metabolites showed that a decrease from pH 6.5 to pH 2 is essential for production of 1, while a subsequent increase to pH 5 is necessary for production of 3. In addition, we revealed that 1 was non-enzymatically converted to 3 by the incorporation of an ammonium nitrogen atom in a pH 5 buffer, and that 1 was converted to 2 at a conversion ratio of 50% during incubation in MeOH for five days., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

Isotopically labeling a metabolite and tracing its metabolic fate has provided invaluable insights about the role of metabolism in human diseases in addition to a variety of other issues. 13 C-labeled metabolite tracers or unlabeled 1 H-based NMR experiments are currently the most common application of NMR to metabolomics studies. Unfortunately, the coverage of the metabolome has been consequently limited to the most abundant carbon-containing metabolites. To expand the coverage of the metabolome and enhance the impact of metabolomics studies, we present a protocol for 15 N-labeled metabolite tracer experiments that may also be combined with routine 13 C tracer experiments to simultaneously detect both 15 N- and 13 C-labeled metabolites in metabolic samples. A database consisting of 2D 1 H- 15 N HSQC natural-abundance spectra of 50 nitrogen-containing metabolites are also presented to facilitate the assignment of 15 N-labeled metabolites. The methodology is demonstrated by labeling Escherichia coli and Staphylococcus aureus metabolomes with 15 N 1 -ammonium chloride, 15 N 4 -arginine, and 13 C 2 -acetate. Efficient 15 N and 13 C metabolite labeling and identification were achieved utilizing standard cell culture and sample preparation protocols.

Calorimetric measurements were conducted on aqueous solutions of n-alkylammonium chlorides (C n AC; H(CH 2 ) n NH 3 Cl, n = 1 - 12) at 298.15 K. The solute partial molar enthalpy, H s , was evaluated with reference to the infinitely diluted state. At low concentrations, the H s increased with the molality, m t , until the critical micelle concentration (CMC) was reached. In the concentration range between the CMC and about three times the CMC, the H s decreased linearly with increasing log m t . The H s observed at the CMC was taken as the enthalpy of micelle formation, ΔH m , which was expressed as ΔH m / kJ mol -1 = 20.1 - 1.4n for C n AC with n from 7 to 12. The Gibbs energy of micelle formation, ΔG m , was estimated from the CMC values: ΔG m / kJ mol -1 = 4.1 - 3.3 n with n from 5 to 12. The entropy of micelle formation, ΔS m , was calculated as TΔS m / kJ mol -1 = 16.4 + 1.9 n with n from 7 to 12. The large positive entropy term was determined to be the driving force for micelle formation. It was inferred that the difference of the CMC of C n AC and sodium n-alkyl sulfate (SC n S;H(CH 2 ) n OSO 3 Na, n = 5 - 13) homologs seemed to be caused by the difference in the number of possible hydrogen bonds to the head group of the micelle state. Based on an attempt to calculate the H s for C 12 AC from the partial molar enthalpy and the concentrations of the constituent individual ions above the CMC, the increase in concentration of the micellar ions seemed to be the largest contribution to the concentration dependence of the H s .

Background: Multicomponent processes have played powerful roles in achieving complex structures, which are also aligned with green chemistry. Thus, MCRs have attracted considerable interest due to their atom economy, simple experimental procedures, automated synthesis, convenience and synthetic efficiency. Isocyanides are one of the crucial starting material in designing MCRs methods. They are unique building blocks in many cycloaddition reactions since they are able to react with both nucleophiles and electrophiles at the same carbon. Furthermore, ammonium chloride is an inorganic compound that is highly soluble in water, inexpensive and commercially available. Solutions of ammonium chloride are mildly acidic and have been used in various reactions., Objective: This article focuses on design a convenient and straightforward method for assembling important scaffolds such imidazolidinones through one-pot three-component strategy., Conclusion: The straightforward and efficient one-pot three component method for the synthesis of 4-(cyclohexylmethylene)-5-phenylimidazolidin-2-one derivatives is described. This reaction exploits the formation of imine, which undergoes spontaneous intermolecular cycloaddition with isocyanide, and generates the desired products in a good yield., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Neutral aqueous electrolytes have been shown to extend both the calendar life and cycling stability of secondary zinc-air batteries (ZABs). Despite this promise, there are currently no modeling studies investigating the performance of neutral ZABs. Traditional continuum models are numerically insufficient to simulate the dynamic behavior of these complex systems because of the rapid, orders-of-magnitude concentration shifts that occur. In this work, we present a novel framework for modeling the cell-level performance of pH-buffered aqueous electrolytes. We apply our model to conduct the first continuum-scale simulation of secondary ZABs using aqueous ZnCl 2 -NH 4 Cl as electrolyte. We first use our model to interpret the results of two recent experimental studies of neutral ZABs, showing that the stability of the pH value is a significant factor in cell performance. We then optimize the composition of the electrolyte and the design of the cell considering factors including pH stability, final discharge product, and overall energy density. Our simulations predict that the effectiveness of the pH buffer is limited by slow mass transport and that chlorine-containing solids may precipitate in addition to ZnO., (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)

It is clear that investigating how bacterial cells work by analysing their functional roles in microbial communities is very important in environmental, clinical and industrial microbiology. The benefits of linking genes to their respective functions include the reliable identification of the causative agents of various diseases, which would permit appropriate and timely treatment in healthcare systems. In industrial and municipal wastewater treatment and management, such knowledge may allow for the manipulation of microbial communities, such as through bioaugmentation, in order to improve the efficiency and effectiveness of bioremediation processes. Stable isotope probing coupled with identification techniques has emerged to be a potentially reliable tool for the discrimination, identification and characterization of bacteria at community and single cell levels, knowledge which can be utilized to link microbially mediated bioprocesses to phylogeny. Development of the surface-enhanced Raman scattering (SERS) technique offers an exciting alternative to the Raman and Fourier-transform infrared spectroscopic techniques in understanding the metabolic processes of microorganisms in situ. SERS employing Ag and Au nanoparticles can significantly enhance the Raman signal, making it an exciting candidate for the analysis of the cellular components of microorganisms. In this study, Escherichia coli cells were cultivated in minimal medium containing different ratios of 12 C/ 13 C glucose and/or 14 N/ 15 N ammonium chloride as the only carbon and nitrogen sources respectively, with the overall final concentrations of these substrates being constant. After growth, the E. coli cells were analyzed with SERS employing an in situ synthesis of Ag nanoparticles. This novel investigation of the SERS spectral data with multivariate chemometrics demonstrated clear clusters which could be correlated to the SERS spectral shifts of biomolecules from cells grown and hence labelled with 13 C and 15 N atoms. These shifts reflect the isotopic content of the bacteria and quantification of the isotope levels could be established using chemometrics based on partial least squares regression.

Coating gold nanorods (GNRs) with polyelectrolytes is an effective approach to make them biocompatible for potential use in photothermal treatment (PTT) of cancer. The authors report the effect of coating of the GNRs with polystyrene sulphonate (PSS-GNRs) and PSS plus poly di-allyl di-methyl ammonium chloride (PDDAC-GNRs) on its photothermal conversion efficiency (PTE), cellular uptake and subsequently the photothermal induced cytotoxicity in human oral cancer cells (NT8e). Coating of GNRs with PSS led to decrease in PTE by ∼30% and further coating it with PDDAC led to its increase to similar level, with respect to as- prepared GNRs. The cellular uptake of PDDAC-GNRs in cancer cells was double than that for PSS-GNRs. PTT of cancer cells after treatment with 60 pM of either PDDAC-GNRs or PSS-GNRs resulted in cytotoxicty of ∼90%. At higher concentration of 120 pM, while PSS-GNRs showed no further change, for PDDAC-GNR the photothermal induced cytotoxicity decreased to ∼50%. The broadening of longitudinal surface plasmon peak of PDDAC-GNRs and appearance of dark clusters in cells under bright-field microscope suggested intracellular clustering of PDDAC-GNRs. In conclusion, despite high PTE and cellular uptake of PDDAC-GNRs, its intracellular clustering (due to acidic pH ) adversely affect the PTT of cancer cells.

To understand the functional roles of RNA in the cell, it is essential to elucidate the dynamics of their production, processing and decay. A recent method for assessing mRNA dynamics is metabolic labeling with 4-thiouridine (4sU), followed by thio-selective attachment of affinity tags. Detection of labeled transcripts by affinity purification and hybridization to microarrays or by deep sequencing then reveals RNA expression levels. Here, we present a novel sequencing method (TUC-seq) that eliminates affinity purification and allows for direct assessment of 4sU-labeled RNA. It employs an OsO 4 -mediated transformation to convert 4sU into cytosine. We exemplify the utility of the new method for verification of endogenous 4sU in tRNAs and for the detection of pulse-labeled mRNA of seven selected genes in mammalian cells to determine the relative abundance of the new transcripts. The results prove TUC-seq as a straight-forward and highly versatile method for studies of cellular RNA dynamics., (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)

We have synthesized N-2-hydroxypropyl dimethylethyl ammonium chloride chitosan (N-2-HFCC) with higher water solubility than chitosan. To evaluate its potential as delivery carrier, NDV encapsulated in N-2-HFCC/CMC nanoparticles (NDV/La Sota-N-2-HFCC/CMC-NPs) with a diameter of 252.2±32.68nm, Zeta potential of 41.1±0.89mV, encapsulation efficiency of 96.6±0.72% and loading capacity of 53.2±1.11% were prepared. NDV/La Sota-N-2-HFCC/CMC-NPs are a novel type of attenuated live vaccine encapsulated in nanoparticles. These nanoparticles displayed lower cytotoxicity and higher stability. Their bioactivity was maintained when they were stored for three months at the room temperature. Release assay in vitro showed that NDV could be sustainably released after an initial burst release. In vivo immunization showed that immunization of specific pathogen free chickens with NDV/La Sota-N-2-HFCC/CMC-NPs intranasally induced high titers of serum antibody, significantly promoted lymphocyte proliferation and caused higher levels of interleukine-2 and interference-γ. These results indicated that N-2-HFCC/CMC nanoparticles could serve as an efficient and safe delivery vehicle for mucosal immunity, and have a great potential in medical applications., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Background: The use of enriched stable isotopes is of outstanding importance in chemical metrology as it allows the application of isotope dilution mass spectrometry (IDMS). Primary methods based on IDMS ensure the quality of the analytical measurements and traceability of the results to the international system of units. However, the synthesis of isotopically labelled molecules from enriched stable isotopes is an expensive and a difficult task. Either chemical and biochemical methods to produce labelled molecules have been proposed, but so far, few cost-effective methods have been described., Results: The aim of this study was to use the microalgae Chlamydomonas reinhardtii to produce, at laboratory scale, 15 N-labelled amino acids with a high isotopic enrichment. To do that, a culture media containing 15 NH 4 Cl was used. No kinetic isotope effect (KIE) was observed. The labelled proteins biosynthesized by the microorganism were extracted from the biomass and the 15 N-labelled amino acids were obtained after a protein hydrolysis with HCl. The use of the wall deficient strain CC503 cw92 mt+ is fit for purpose, as it only assimilates ammonia as nitrogen source, avoiding isotope contamination with nitrogen from the atmosphere or the reagents used in the culture medium, and enhancing the protein extraction efficiency compared to cell-walled wild type Chlamydomonas. The isotopic enrichment of the labelled amino acids was calculated from their isotopic composition measured by gas chromatography mass spectrometry (GC-MS). The average isotopic enrichment for the 16 amino acids characterized was 99.56 ± 0.05% and the concentration of the amino acids in the hydrolysate ranged from 18 to 90 µg/mL., Conclusions: Previously reported biochemical methods to produce isotopically labelled proteins have been applied in the fields of proteomics and fluxomics. For these approaches, low amounts of products are required and the isotopic enrichment of the molecules has never been properly determined. So far, only 13 C-labelled fatty acids have been isolated from labelled microalga biomass as valuable industrial products. In this study, we propose Chlamydomonas reinhardtii CC503 as a feasible microorganism and strain to produce labelled biomass from which a standard containing sixteen 15 N-labelled amino acids could be obtained.

A large amount of chloride and ammonium ions were produced and released from industrial processes with non-biodegradable organic pollutants to affect efficiencies of advanced oxidation processes (AOPs). Here, the influences of chloride and ammonium ions on Co/peroxymonosulfate (Co/PMS) reaction system, a widely used AOPs to produce sulfate radicals, were investigated by examining the degradation efficiency of an azo dye (Acid Orange 7, AO7). The experimental results showed that a significant decrease in the degradation rate of AO7 was observed in the presence of NH 4 + , while a dual effect of chloride on AO7 bleaching appeared. The presence of NH 4 Cl was unfavorable for AO7 degradation at low concentration (<20 mM), whereas further addition of NH 4 Cl (>20 mM) apparently accelerated AO7 discoloration rate. The apparent effects of the two co-existing inorganic ions were determined by roles of the dominating ions at varied molar ratio of [NH 4 + ]/[Cl - ]. The present study may have technical implications for the treatment of industrial wastewater containing diverse ions in practice., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

The rheological properties of aqueous solutions and films made from blends of polyvinyl alcohol (PVOH) and amylose-hexadecylammonium chloride inclusion complexes (Hex-Am) were investigated to better understand the polymer interactions and processing parameters. Aqueous solutions of Hex-Am displayed non-Newtonian shear thinning characteristics, becoming highly viscous at 4.2% solids and forming a strong mechanical gel at 10% solids. Cationic Hex-Am was observed to have dramatically different rheological temperature response profiles from anionic amylose-sodium palmitate inclusion complexes, displaying a precipitous increase in viscosity upon cooling from 95°C to 50°C. Aqueous solution blends of 1:1 PVOH/Hex-Am lack this precipitous increase in viscosity, indicating that PVOH reduces amylose-chain entanglement. Films cast from varying blends of Hex-Am and PVOH were thermostable to 200°C, and displayed decreasing storage modulus with increasing concentrations of PVOH in film blends. Films cast from Hex-Am/PVOH absorb water vapor at lower rates than their constitutive polymers., (Published by Elsevier Ltd.)

Flocculation as the core technology of sludge pretreatment can improve the dewatering performance of sludge that enables to reduce the cost of sludge transportation and the subsequent disposal costs. Therefore, synthesis of high-efficiency and economic flocculant is remarkably desired in this field. This study presents a cationic polyacrylamide (CPAM) flocculant with microblock structure synthesized through ultraviolet (UV)-initiated template copolymerization by using acrylamide (AM) and methacrylamido propyl trimethyl ammonium chloride (MAPTAC) as monomers, sodium polyacrylate (PAAS) as template, and 2,2'-azobis [2-(2-imidazolin-2-yl) propane] dihydrochloride (VA-044) as photoinitiator. The microblock structure of the CPAM was observed through nuclear magnetic resonance ( 1 H NMR and 13 C NMR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM) analyses. Furthermore, thermogravimetric/differential scanning calorimetry (TG/DSC) analysis was used to evaluate its thermal decomposition property. The copolymerization mechanism was investigated through the determination of the binding constant M K and study on polymerization kinetics. Results showed that the copolymerization was conducted in accordance with the I (ZIP) template polymerization mechanism, and revealed the coexistence of bimolecular termination free-radical reaction and mono-radical termination in the polymerization process. Results of sludge dewatering tests indicated the superior flocculation performance of microblock flocculant than random distributed CPAM. The residual turbidity, filter cake moisture content, and specific resistance to filtration reached 9.37 NTU, 68.01%, and 6.24 (10 12  m kg -1 ), respectively, at 40 mg L -1 of template poly(AM-MAPTAC) and pH 6.0. Furthermore, all flocculant except commercial CPAM showed a wide scope of pH application., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Ammonia is a biologically potent molecule, and the regulation of ammonia levels in the mammalian body is, therefore, strictly controlled. The molecular paths of ammonia permeation across plasma membranes remain ill-defined, but the structural similarity of water and NH3 has pointed to the aquaporins as putative NH3-permeable pores. Accordingly, a range of aquaporins from mammals, plants, fungi, and protozoans demonstrates ammonia permeability. Aquaporin 4 (AQP4) is highly expressed at perivascular glia end-feet in the mammalian brain and may, with this prominent localization at the blood-brain-interface, participate in the exchange of ammonia, which is required to sustain the glutamate-glutamine cycle. Here we observe that AQP4-expressing Xenopus oocytes display a reflection coefficient <1 for NH4Cl at pH 8.0, at which pH an increased amount of the ammonia occurs in the form of NH3 Taken together with an NH4Cl-mediated intracellular alkalization (or lesser acidification) of AQP4-expressing oocytes, these data suggest that NH3 is able to permeate the pore of AQP4. Exposure to NH4Cl increased the membrane currents to a similar extent in uninjected oocytes and in oocytes expressing AQP4, indicating that the ionic NH4 (+) did not permeate AQP4. Molecular dynamics simulations revealed partial pore permeation events of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared with that of a cholesterol-containing lipid bilayer, suggesting AQP4 as a favored transmembrane route for NH3 Our data propose that AQP4 belongs to the growing list of NH3-permeable water channels., (© 2016 by The American Society for Biochemistry and Molecular Biology, Inc.)

RNA is a linear polymer of nucleotides linked by a ribose-phosphate backbone. Polymerization of nucleotides occurs in a condensation reaction in which phosphodiester bonds are formed. However, in the absence of enzymes and metabolism there has been no obvious way for RNA-like molecules to be produced and then encapsulated in cellular compartments. We investigated 5'-adenosine monophosphate (AMP) and 5'-uridine monophosphate (UMP) molecules confined in multi-lamellar phospholipid bilayers, nanoscopic films, ammonium chloride salt crystals and Montmorillonite clay, previously proposed to promote polymerization. X-ray diffraction was used to determine whether such conditions imposed a degree of order on the nucleotides. Two nucleotide signals were observed in all matrices, one corresponding to a nearest neighbour distance of 4.6 Å attributed to nucleotides that form a disordered, glassy structure. A second, smaller distance of 3.4 Å agrees well with the distance between stacked base pairs in the RNA backbone, and was assigned to the formation of pre-polymers, i.e., the organization of nucleotides into stacks of about 10 monomers. Such ordering can provide conditions that promote the nonenzymatic polymerization of RNA strands under prebiotic conditions. Experiments were modeled by Monte-Carlo simulations, which provide details of the molecular structure of these pre-polymers.

Quantum mechanics/molecular mechanics (QM/MM) simulations of reactions in solutions and in solvated enzymes can be performed using the QM/MM-Ewald approach with periodic boundary conditions (PBC) or a nonperiodic treatment with a finite solvent shell (droplet model). To avoid the changes in QM codes that are required in standard QM/MM-Ewald implementations, we present a general method (Gen-Ew) for periodic QM/MM calculations that can be used with any QM method in the QM/MM framework. The Gen-Ew approach approximates the QM/MM-Ewald method by representing the PBC potential by virtual charges on a sphere and the QM density by electrostatic potential (ESP) charges. Test calculations show that the deviations between Gen-Ew and QM/MM-Ewald results are generally small enough to justify the application of the Gen-Ew method in the absence of a suitable QM/MM-Ewald implementation. We compare the results from periodic QM/MM calculations (QM/MM-Ewald, Gen-Ew) to their nonperiodic counterparts (droplet model) for five test reactions in water and for the Claisen rearrangement in chorismate mutase. The periodic and nonperiodic QM/MM treatments give similar free energy profiles for the reactions in solution (umbrella sampling, free energy deviations of the order of 1 kcal/mol) and essentially the same energy profile (constrained geometry optimizations) for the Claisen rearrangement in chorismate mutase. In all cases considered, long-range electrostatic interactions are thus well captured by nonperiodic QM/MM calculations in a water droplet of reasonable size (radius of 15-20 Å). This provides further justification for the widespread use of the computationally efficient droplet model in QM/MM studies of reactions in solution and in enzymes.

A simple and efficient procedure was designed for the preparation of pyranoid glycals. In a novel fashion, a series of protected glycopyranosyl bromides underwent reductive elimination in the presence of zinc dust and ammonium chloride in CH3CN at 30-60 °C. The corresponding glycals were obtained with excellent isolated yields (72-96%) in a short time (20-50 min). Furthermore, the transformation was compatible with different protection patterns and conveniently scalable (86% for 45 g acetobromoglucose) which made it very applicable in organic synthesis., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

The molecular mechanism of the graft reaction of 2,3-epoxypropyl-trimethyl quaternary ammonium chloride with chitosan monomer was investigated by performing density functional theory (DFT) calculations. The calculated results show that the -NH2 group of chitosan monomer is more reactive than its -OH and -CH2OH groups, and the graft reaction on the -NH2 group is calculated to be exothermic by 20.5kcal/mol with a free energy barrier of 42.6kcal/mol. The reaction cannot benefit from the presence of the intruded water molecule, but can be considerably assisted by 1-allyl-3-methylimidazolium chloride ([Amim]Cl) ionic liquid. The reaction catalyzed by the ion-pair is calculated to be exothermic by 36.5kcal/mol and the barrier is reduced to 29.3kcal/mol, which are further corrected to 28.0 and 29.1kcal/mol by considering the solvent effect of [Amim]Cl ionic liquid. Calculated results verified the experimental finding that imidazolium-based ionic liquids can promote the reaction of chitosan with epoxy compounds., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

This study investigated the mechanism and key factors influencing concurrent phosphorus (P) recovery and energy generation in microbial fuel cells (MFC) during wastewater treatment. Using a mediator-less dual chamber microbial fuel cell operated for 120 days; P was shown to precipitate as struvite when ammonium and magnesium chloride solutions were added to the cathode chamber. Monitoring data for chemical oxygen demand (COD), pH, oxidation reduction potential (ORP) and aeration flow rate showed that a maximum 38% P recovery was achieved; and this corresponds to 1.5 g/L, pH > 8, -550 ± 10 mV and 50 mL/min respectively, for COD, pH(cathode), ORP and cathode aeration flow rate. More importantly, COD and aeration flow rate were shown to be the key influencing factors for the P recovery and energy generation. Results further show that the maximum P recovery corresponds to 72 mW/m² power density. However, the energy generated at maximum P recovery was not the optimum; this shows that whilst P recovery and energy generation can be concurrently achieved in a microbial fuel cell, neither can be at the optimal value.

Background: We evaluated the reliability and accuracy of the combined use of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) bacterial identification and Vitek 2 antimicrobial susceptibility testing (AST) for bacteria from positive blood culture bottles., Methods: Direct identification and AST were performed in parallel to the standard methods in monomicrobial positive blood culture bottles. In total, 254 isolates grown on aerobic and/or anaerobic bottles were identified with MALDI-TOF Vitek MS (bioMérieux, France), and 1,978 microorganism/antimicrobial agent combinations were assessed. For isolates from anaerobic bottles, an aliquot of the culture broth was centrifuged, washed, and filtered through a nylon mesh. For isolates from aerobic/pediatric bottles, a lysis step using 9.26% ammonium chloride solution and 2% saponin solution was included., Results: The overall correct identification rate was 81.8% (208/254) and that for gram-positive/gram-negative isolates was 73.9%/92.6%, respectively, and it was 81.8%, 87.6%, and 57.9% for isolates from aerobic, anaerobic, and pediatric bottles, respectively. Identification was not possible in 45 cases, and most of these isolates were streptococci (N=14) and coagulase-negative staphylococci (N=11). Misidentification occurred only in one case. Compared with standard methods, direct AST showed 97.9% (1,936/1,978) agreement with very major error of 0.25%, major error of 0.05%, and minor error of 1.8%., Conclusions: This simple and cost-effective sample preparation method gives reliable results for the direct identification and AST of bacteria. For the identification of streptococci and coagulase-negative staphylococci, the method should be further improved.