Synthesis,Surface Activity,and Antimicrobial Efficacy of Diaryliodonium Salt‐Derived Amphiphiles

Two sets of 19 amphiphiles derived from diaryliodonium salt in the form of 4‐methylbenzenesulfonate salts and trifluoromethanesulfonate salts were synthesized in good yields through the oxidation of 17 different aryl iodides using oxone (potassium peroxymonosulfate) as the oxidation agent in Route I and meta‐chloroperoxybenzoic acid as the oxidation agent in Routes II and III, followed by Friedel–Crafts reaction with (2‐(2‐(2‐methoxyethoxy)ethoxy)ethoxy)benzene to obtain the target compounds ( 1 – 19 ). Their structures were characterized by ¹H nuclear magnetic resonance (NMR), ¹³C NMR, and high‐resolution mass spectrometry studies. Their surface activities were evaluated on the basis of surface tension and critical micelle concentration measurements by the Wilhelmy plate method at 25 °C. With their good water solubility, diaryliodonium salts ( 1 – 19 ) have excellent short‐term bactericidal efficacy against Bacillus cereus in the concentration of 600 ppm at 20 °C. After compounding 1 or 18 with the broad‐spectrum but skin‐irritating antibacterial agent Kathon CG (methylchloroisothiazolinone in combination with methylisothiazolinone) in the ratio of 1:1 by mass, both formulations maintained lethality rate of >90% after 48 h.     

Synthesis,Surface Activity,and Antimicrobial Efficacy of Hydrogenated Cardanol-Derived Positively Charged Asymmetric Gemini Surfactants

Nine different hydrogenated cardanol-based quaternary ammonium compounds including one conventional single-tale single-head surfactant, one bicephalic single-tale double-head surfactant, and seven asymmetric Gemini surfactants were synthetized using a simple process with high yields. Their structures were characterized using ¹H NMR, ¹³C NMR, and high-resolution mass spectral studies. Their surface active properties were evaluated by the wilhelmy plate method at 25 °C and physical parameters like CMC, γ_CMC, π_CMC, C₂₀, τ_CMC, and A_min were calculated. The Krafft temperature values of C-BP-1, C-BP-4, and C-BP-6 are lower than 0 °C, suggesting high-potential industrial application. All synthesized compounds but C-BP-F exhibit great antimicrobial ability against Gram-positive bacteria (S. aureus [ATCC 25923] and C. glutamicum [ATCC 13032]) while inadequate antimicrobial ability against Gram negative strains (E. coli [ATCC 25922] and P. aeruginosa [ATCC 27853]).     

Effect of Secondary Structure and Side Chain Length of Hydrophobic Amino Acid Residues on the Antimicrobial Activity and Toxicity of 14-Residue-Long de novo AMPs

Herein we report the efficacy and toxicity of three de novo designed cationic antimicrobial peptides (AMPs) LL-14, VV-14 and ββ-14, where side chains of the hydrophobic amino acids were reduced gradually. The AMPs showed broad-spectrum antimicrobial activity against three pathogens from the ESKAPE group and two fungal strains. This study showed that side chains which are either too long or too short increase toxicity and lower antimicrobial activity, respectively. VV-14 was found to be non-cytotoxic and highly potent under physiological salt concentrations against several pathogens, especially Salmonella typhi TY2. These AMPs acted via membrane deformation, depolarization, and lysis. The activity of the AMPs is related to their ability to take on amphipathic helical conformations in the presence of microbial membrane mimics. Among AMPs with the same charge, hydrophobic interactions between the side chains of the residues with cell membrane lipids determine their antimicrobial potency and cytotoxicity. Strikingly, an optimum hydrophobic interaction is the crux of generating highly potent non-cytotoxic AMPs.     

A New Method to Evaluate the Antimicrobial Efficacy of Domestic Laundry Detergents

During the last decades, the strive for energy efficiency lead to lower washing temperatures in laundering processes. In this regard, there is a rising need to measure the antimicrobial action of laundry detergents and additives, since chemistry must be considered an important means to compensate for the loss of temperature. Although there is an existing standard method (EN 16616) to evaluate the antimicrobial efficacy of detergents for the medical area, this method does not reflect the domestic situation and neglects important steps, such as the rinse cycles. Hence, we developed an experimental setup, which represents the whole washing process and reflects the domestic situation by using a household-related setting. The suggested method uses a lab-scale washing machine, which does not only allow to test products that can be applied throughout the whole laundering process (including the rinse steps) but also proved to be able to show the impact of different parameters (e.g., detergent ingredient or different types of textiles) in a very systematic manner.     

Prediction via Neural Networks of the Residual Hydrogen Peroxide used in Photo‐Fenton Processes for Effluent Treatment

This communication proposes the use of neural networks in the prediction of residual concentrations of hydrogen peroxide from the treatment of effluents through Advanced Oxidative Processes (AOP's), in particular, the photo‐Fenton process. To verify the efficiency of the oxidative process, the Chemical Oxygen Demand (COD) parameter, the values of which may be modified by the presence of oxidizing agents such as residual hydrogen peroxide, is frequently taken in account. The analysis of the H₂O₂ interference was performed by spectrophotometry at 450 nm wavelength, via the monitoring of the reaction of ammonia with metavanadate. The results of the hydrogen peroxide residual concentration were modeled via a feedforward neural network, with the correlation coefficients between actual and predicted values above 0.96, indicating good prediction capacity.     

浅述氯化氢合成炉的结构改造

以氯化氢合成炉使用过程中出现的情况为基础，提出了对视镜、夹套、夹套顶部、炉体顶部及出口管的结构改造。     

论工艺冷凝液在制氢装置中的回收利用

国内烃类水蒸汽法制氢装置在生产氢气过程中会副产大量的工艺冷凝液,考虑回收其工艺冷凝液对炼油厂有极大的经济效益.本文研究了某炼油厂2×100000Nm3/h制氢装置在工艺冷凝液回收方面的流程特点及回收价值和传统的工艺冷凝液回收利用,与国内传统工艺相比,该回收工艺在降低装置成本的同时也提升了装置的安全运行性.     

硫化氢环境中压力容器用钢腐蚀研究现状与进展

简要综述了压力容器用钢在湿硫化氢环境中腐蚀研究现状。从材料和环境因素两方面探讨了压力容器钢发生腐蚀的影响因素和腐蚀研究方法。对压力容器钢的硫化氢腐蚀研究方向提出了看法和建议。进一步研究硫化氢腐蚀机理与最初裂纹的生成位置。     

以氢气作燃料的四氟乙烯装置蒸汽过热炉的设计

介绍了用氢气作为燃料的四氟乙烯装置蒸汽过热炉的设计特点,探讨了设计中如何保证氢气燃烧系统的安全运行以及提高蒸汽过程炉热效率的措施。     

Sodium Borohydride Hydrolysis as Hydrogen Generator: Issues,State of the Art and Applicability Upstream from a Fuel Cell

Today there is a consensus regarding the potential of NaBH₄ as a good candidate for hydrogen storage and release via hydrolysis reaction, especially for mobile, portable and niche applications. However as gone through in the present paper two main issues, which are the most investigated throughout the open literature, still avoid NaBH₄ to be competitive. The first one is water handling. The second one is the catalytic material used to accelerate the hydrolysis reaction. Both issues are objects of great attentions as it can be noticed throughout the open literature. This review presents and discusses the various strategies which were considered until now by many studies to manage water and to improve catalysts performances (reactivity and durability). Published studies show real improvements and much more efforts might lead to significant overhangs. Nevertheless, the results show that we are still far from envisaging short‐term commercialisation.     

Application of Combined Ozone–Hydrogen Peroxide for the Removal of Aromatic Compounds from a Groundwater

Nitro and chlorobenzene compounds, which are widely used in dye industries, have been associated recently with groundwater contamination. Because of their potential toxicity and for taste and odor considerations, three main actions were undertaken to solve the problem. First, to follow the advance of pollution toward the wells, samples were collected automatically and analyzed using GC-MS. Results indicate that o-chloronitrobenzene was the main pollutant in concentrations ranging from 10 to 2000μg/L. Second, to monitor the drinking water quality, an on-line spectrophotometer was used to measure the optical density at 254 nm at the inlet and outlet of the plant. Third, the feasibility of using the O₃/H₂O₉ combination was determined at a 450 L/h pilot plant. Reduction of concentrations of chloronitrobenzenes from 1900 μ/L to less than 20 μg/L could be reached by the application of 8 mg O3/L and 3 mg H2O9/L with a 20-minute contact time. To avoid an eventual bacterial egrowfn in the network due to biodegradability of the oxidation by-products, sand and GAC filtration were tested after oxidation. An evaluation of the costs of these different treatments is also presented.     

以提高教学质量为主旨 深化药物化学教学改革

药物化学是药学一级学科所涵盖专业——制药工程、药学以及药物制剂专业的核心课程,是新药研究与开发的龙头学科。本文结合教学改革实践,从师资队伍、课堂教学、课程体系以及实践环节等方面,阐述了华东理工大学药物化学课程的建设情况,并就课程建设中尚存的问题和遇到的新困境,提出了解决设想。     

On the Efficacy of Ru/Al2O3 Catalyst for Steam Reforming of Ethylene Glycol

This work describes hydrogen (H₂) production via steam reforming of ethylene glycol (EG) over a supported ruthenium catalyst. EG is chosen as a model compound for the alcohols contained in the aqueous phase of bio-oil. Using a fixed-bed reactor, experimental runs are carried out over Ru/Al₂O₃ at various temperatures (350–500°C), ratios of the mass of the catalyst (W) to the molar flow rate (F_O) of EG at the inlet (W/F_O = 0.37 ? 2.38 g h/mol), and feed concentrations (22.3–53.4 wt.% EG in water). The role of Ru in conversion of EG, production of H₂, and product distribution of the carbonaceous species is studied. Reaction pathways previously described in the literature are used to elucidate our results.     

The Chemistry of Water Treatment Processes Involving Ozone,Hydrogen Peroxide and Ultraviolet Radiation

Advanced oxidation processes are defined as those which involve the generation of hydroxyl radicals in sufficient quantity to affect water purification. The theoretical and (practical yield of OH from O₃ at high pH, 0₃/H₂0₂, O₃/UV and H₂O₂/UV systems is reviewed. New data is presented which illustrates the importance of direct photolysis in the O₃/UV process, the effect of the H₂0₂:0₃ ratio in the O₃/H₂O₂ process, and the impact of the low extinction coefficient of H₂O₂ in the H₂0₂/UV process.     

A Facile Strategy for Synergistic Integration of Dynamic Covalent Bonds and Hydrogen Bonds to Surmount the Tradeoff between Mechanical Property and Self-Healing Capacity of Hydrogels

The self-healable hydrogels have attracted increasing attention due to their promising potential for ensuring the durability and reliability of hydrogels. However, they still face a serious challenge to achieve a positive balance between mechanical and healing performance, especially for the room-temperature autonomous self-healable hydrogels. Herein, a simple but efficient strategy to fabricate a kind of dynamic boronate and hydrogen bonds dual-crosslinked double network (DN) hydrogel based on a UV-initiated one-pot in situ polymerization of N-acryloyl glycinamide (NAGA) in polyvinyl alcohol-borax slime is reported. The obtained PN-x/PB hydrogels, especially with high content of PNAGA, are shown to possess high mechanical strength, high toughness, and fatigue-resistance properties as well as excellent self-healability at room temperature (nearly 88% self-healing efficiency based on the strain compression test), due to the dynamic DN structure, and the combination of the adaptable and reconfigurable dynamic boronate bonds and hydrogen bonds. Considering the easily available materials and simple preparation process, this novel strategy should offer not only a kind of dynamic DN hydrogel with robust mechanical performance and high self-healing capability, but also enrich the methodological toolbox for synergistic integration of dynamic covalent bonds and hydrogen bonds to surmount the tradeoff between mechanical properties and self-healing capacity of hydrogels.     

Evaluation of the Antimicrobial Efficacy of N-Acetyl-l-Cysteine,Rhamnolipids, and Usnic Acid—Novel Approaches to Fight Food-Borne Pathogens

In the food industry, the increasing antimicrobial resistance of food-borne pathogens to conventional sanitizers poses the risk of food contamination and a decrease in product quality and safety. Therefore, we explored alternative antimicrobials N-Acetyl-l-cysteine (NAC), rhamnolipids (RLs), and usnic acid (UA) as a novel approach to prevent biofilm formation and reduce existing biofilms formed by important food-borne pathogens (three strains of Salmonella enterica and two strains of Escherichia coli, Listeria monocytogenes, Staphylococcus aureus). Their effectiveness was evaluated by determining minimum inhibitory concentrations needed for inhibition of bacterial growth, biofilm formation, metabolic activity, and biofilm reduction. Transmission electron microscopy and confocal scanning laser microscopy followed by image analysis were used to visualize and quantify the impact of tested substances on both planktonic and biofilm-associated cells. The in vitro cytotoxicity of the substances was determined as a half-maximal inhibitory concentration in five different cell lines. The results indicate relatively low cytotoxic effects of NAC in comparison to RLs and UA. In addition, NAC inhibited bacterial growth for all strains, while RLs showed overall lower inhibition and UA inhibited only the growth of Gram-positive bacteria. Even though tested substances did not remove the biofilms, NAC represents a promising tool in biofilm prevention.     

Hydrogen as a remedy for the detrimental effect of aromatic and cyclic compounds on the HC-SCR over Ag/alumina

The effect of hydrogen on the selective catalytic reduction of NO_x with n-octane, methylcyclohexane and toluene over a 2 wt.% Ag/Al₂O₃ was investigated. Diesel fuels contain, in addition to straight hydrocarbons, varying amounts of cyclic and aromatic compounds, which have a detrimental effect on the Ag/Al₂O₃ catalyst activity. The results showed that the NO to N₂ conversion was significantly promoted, independent of the nature (straight, cyclic or aromatic) of the hydrocarbon, in the presence of 1 vol.% H₂. The role of hydrogen is connected to a faster oxidation of the hydrocarbons and to enhanced formation of amines, which react with activated NO to form N₂.     

Development and Validation of a Pharmacophore‐Based QSAR Model for the Prediction of CNS Activity

A QSAR model for the prediction of CNS activity was developed and validated based on data from an in‐house database of “drug‐like” compounds. The model has demonstrated its applicability for novel chemical structures and its usefulness for the design of CNS‐focused compound libraries.

     

Probing the Structure, Stability and Hydrogen Adsorption of Lithium Functionalized Isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by Density Functional Theory

Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionalized MOFs are seen to be in the range of 0.2 eV, which is the desired value for an ideal reversible storage system. This study has clearly shown that Li doping is possible only in Zn-based MOF-5, which would be better candidate to reversibly store hydrogen.     

Alanine and Lysine Scans of the LL‐37‐Derived Peptide Fragment KR‐12 Reveal Key Residues for Antimicrobial Activity

The human host defence peptide LL‐37 is a broad‐spectrum antibiotic with immunomodulatory functions. Residues 18–29 in LL‐37 have previously been identified as a minimal peptide (KR‐12) that retains antibacterial activity with decreased cytotoxicity. In this study, analogues of KR‐12 were generated by Ala and Lys scans to identify key elements for activity. These were tested against a panel of human pathogens and for membrane permeabilisation on liposomes. Replacements of hydrophobic and cationic residues with Ala were detrimental for antibiotic potency. Substitutions by Lys increased activity, as long as the increase in cationic density did not disrupt the amphiphilic disposition of the helical structure. Importantly, substitutions showed differential effects against different organisms. Replacement of Gln5 with Lys and Asp9 with Ala or Lys improved the broad‐spectrum activity most, each resulting in up to an eightfold increase in potency against Staphylococcus aureus, Pseudomonas aeruginosa and Candida albicans. The improved analogues displayed no significant toxicity against human cells, and thus, KR‐12 is a tuneable template for antibiotic development.