New 4-imino-4H-Chromeno[2,3-d]Pyrimidin-3(5H)-Amine: Synthesis, Cytotoxic Effects on Tumoral Cell Lines and in Silico ADMET Properties

The synthesis of new 4-imino-4H-chromeno[2,3-d]pyrimidin-3(5H)-amine in four steps including one step under microwave dielectric heating is reported. The structural identity of the synthesized compounds was established according to their spectroscopic analysis, such as FT-IR, NMR and mass spectroscopy. These new compounds were tested for their antiproliferative activities on seven representative human tumoral cell lines (Huh7 D12, Caco2, MDA-MB231, MDA-MB468, HCT116, PC3 and MCF7) and also on fibroblasts. Among them, only the compounds 6c showed micromolar cytotoxic activity on tumor cell lines (1.8 50 50 > 25 μM). Finally, in silico ADMET studies ware performed to investigate the possibility of using of the identified compound 6c as potential anti-tumor compound.

Achieving a superior Na storage performance of Fe-based Prussian blue cathode by coating perylene tetracarboxylic dianhydride amine

Fe-based Prussian blue(Fe-PB)cathode material shows great application potential in sodium(Na)-ion batteries due to its high theoretical capacity,long cycle life,low cost,and simple preparation process.However,the crystalline water and vacancies of Fe-PB lattice,the low electrical conductivity,and the dissolution of metal ions lead to limited capacity and poor cycling stability.In this work,a perylene tetracarboxylic dianhydride amine(PTCDA)coating layer is successfully fabricated on the surface of Fe-PB by a liquid-phase method.The aminated PTCDA(PTCA)coating not only increases the specific surface area and electronic conductivity but also effectively reduces the crystalline water and vacancies,which avoids the erosion of Fe-PB by electrolyte.Consequently,the PTCA layer reduces the charge transfer resistance,enhances the Na-ion diffusion coefficient,and improves the structure stability.The PTCA-coated Fe-PB exhibits superior Na storage performance with a first discharge capacity of 145.2 mAh g^(−1) at 100 mA g^(−1).Long cycling tests exhibit minimal capacity decay of 0.027%per cycle over 1000 cycles at 1 A g^(−1).Therefore,this PTCA coating strategy has shown promising competence in enhancing the electrochemical performance of Fe-PB,which can potentially serve as a universal electrode coating strategy for Na-ion batteries.

Effect of the presence of trace sulfur dioxide on piperazine-based amine absorbents for carbon dioxide capture

The effect of the presence of trace SO_(2)in industrial flue gas on the amine-scrubbing-based absorption process for CO_(2)capture has been a matter of concern.This study aimed to investigate the effect of trace SO_(2)on the CO_(2)capture process using piperazine-based amine absorbents,focusing on SO_(2)-resistance capability,SO_(2)/CO_(2)absorption selectivity,and cyclic stability.The presence of trace SO_(2)not only restrains CO_(2)absorption,but also promotes the formation of carbamate within the piperazine-based amine absorbents.Remarkably,the incorporation of aminoethyl group in piperazine-based amine absorbents can enhance the SO_(2)-resistance capability by promoting the formation of carbamate,while piperazine-based amine absorbents with hydroxyethyl group can promote the formation of bicarbonate to reduce the SO_(2)-resistance capability.The work offers valuable insights into the efficient application of novel amine absorbents for CO_(2)capture from practical industrial flue gas.

Effects of potassium lactate on sensory attributes,bacterial community succession and biogenic amines formation in Rugao ham

To deepen the understanding in the effect of potassium lactate on the sensory quality and safety of Rugao ham,sensory attributes,physicochemical parameters,total volatile basic nitrogen(TVBN),microorganism community and biogenic amines of Rugao ham manufactured with different potassium lactate levels(0%,0.5%,1%,2%)were investigated;the relationship between microbial community and the formation of TVBN and biogenic amines was further evaluated.With the increase of potassium lactate from 0%to 2%,the increased sensory scores and the decreased total aerobic bacterial count and TVBN were observed;the abundance of Staphylococcus increased,while the content of Halomonas decreased.LDA effect size(LEf Se)and correlations analysis showed that Staphylococcus equorum and Lactobacillus fermentum could be the key species to improve sensory scores and decrease biogenic amines and TVBN.Metabolic pathway analysis further showed that amino acids metabolism and nitrogen metabolism were mainly involved in decreasing TVBN and biogenic amines in the treatment of 2%potassium lactate.

One-pot Synthesis of MoO_(3)/PI Composite with Enhanced Photocatalytic Performance for Oxidative Coupling of Amines to Imines

Organic-inorganic MoO_(3)/PI(MoPI)composites were prepared using a simple one-pot thermal copolymerization method.The resulting composites exhibited enhanced photocatalytic activity for the selective oxidation of benzylamine to N-benzylidene benzylamine(N-BDBA)in ambient air under simulated solar light irradiation compared to pristine MoO_(3) or polyimide(PI).In particular,the MoPI composite with a 0.3:1 molar ratio of Mo to melamine,referred to as MoPI-0.3,demonstrated the best performance in the photo-oxidation of benzylamine,achieving a benzylamine conversion of 95%with a N-BDBA selectivity exceeding 99%after 3 h irradiation.The enhanced photocatalytic activity of the MoPI-0.3 catalyst was attributed to the formation of a direct Z-scheme heterojunction between MoO_(3) and PI,facilitating more efficient separation of the photoinduced electrons and holes.Additionally,the MoPI-0.3 composite maintained considerably high activity over four consecutive cycles,highlighting its good stability and recyclability.Furthermore,the MoPI-0.3 composite could photo-oxidize benzylamine derivatives and heterocyclic amines to their corresponding imines,demonstrating the universal applicability of this composite catalyst.

Activation mechanism of conventional electrolytes with amine solvents:Species evolution and hydride-containing interphase formation

Rechargeable magnesium(Mg)-metal batteries have brought great expect to overcome the safety and energy density concerns of typical lithium-ion batteries.However,interracial passivation of the Mgmetal anode impairs the reversible Mg plating/stripping chemistries,resulting in low Coulombic efficiency and large overpotential.In this work,a facile isobutylamine(IBA)-assisted activation strategy has been proposed and the fundamental mechanism has been unveiled in a specific way of evolving active species and forming MgH_(2)-based solid-electrolyte interphase.After introducing IBA into a typical electrolyte of magnesium bis(trifluoromethanesulfo nyl) imide(Mg(TFSI)_(2)) in diglyme(G2) solvents,electrolyte species of [Mg^(2+)(IBA)5]^(2+) and protonated amine-based cations of [(IBA)H]^(+) have been detected by nuclear magnetic resonance and mass spectra.This not only indicates direct solvation of IBA toward Mg^(2+)but also suggests its ionization,which is central to mitigating the decomposition of G2 and TFSI anions by forming neutrally charged [(IBAH^(+))(TFSI^(-))]~0 and other complex ions.A series of experiments,including cryogenic-electron microscopy,D_(2)O titration-mass spectra,and time of flight secondary ion mass spectrometry results,reveal a thin,non-passivated,and MgH_(2)-containing interphase on the Mg-metal anode.Besides,uniform and dendrite-free Mg electrodeposits have been revealed in composite electrolytes.Benefiting from the activation effects of IBA,the composite electrolyte displays superior electrochemical performance(overpotential is approximately 0.16 V versus 2.00 V for conventional electrolyte;Coulombic efficiency is above 90% versus <10% for conventional electrolyte).This work offers a fresh direction to advanced electrolyte design for next-generation rechargeable batteries.

Mono Ethanol Amine (MEA) Pulping of Wheat Straw: An Environmentally Friendly Suggestion for the Fluff Pulp Production

This research aimed to investigate the effect of pulping conditions and refining intensities of wheat straw to be recommended for fluff pulp production.For this purpose,mono ethanol amine(MEA)was selected as a de-lignification agent at three levels of 50:50,25:75,and 15:85(MEA/water,W/V%),and soda-AQ 14 W/V%was used as a reference pulping.To investigate the optimal refining intensity,the obtained pulp was passed through a single disk laboratory refiner from 0 to 6 times and in two different consistencies(1.5 and 2.5 W/V%).Total yield,kappa number,ash content,and the Schopper-Riegler(SR°)freeness of the prepared pulps were investigated.Finally,hand sheets with a targeted basic weight of 70 g/m^(2) were made according to the related standards.The hand sheets were characterized using Fourier transform infrared(FTIR)spectroscopy and a field emission scanning electron microscope(FE-SEM).Sheet density,brightness,and mechanical properties such as burst,tensile,and tear indices were also investigated.The FE-SEM photographs showed that the texture of the hand sheet became denser as the refining intensity increased.External fibrillation on the surface of the fibers was also observed,especially on those refined with 2.5%consistency.The results of the chemical composition of wheat straw indicated that wheat straw containing a high percentage of holocellulose is an excellent candidate for the production of fluff pulp.The total yield and kappa number of MEA pulps increased with the decrease in MEA concentration.FTIR results indicated the presence of a peak related to amino groups in the pulp related to MEA pulp.The results also indicated that the mechanical properties of the papers,except for the tear index,were enhanced as the intensity of refining and the pulp consistency during refining increased.

SAPO-34 synthesized with n-butylamine as a template and its catalytic application in the methanol amination reaction

SAPO-34 was synthesized with n-butylamine（BA） as a template for the first time.Crystallization temperature and initial Si amount were important factors leading to successful syntheses.Lamellar AlPO-kanemite tends to form as the major phase or as an impurity of SAPO-34 at lower crystallization temperatures,though a higher initial Si amount may offer a positive effect on the crystallization of SAPO-34 that mitigates the low temperature.Higher temperature（240℃） can effectively suppress the generation of lamellar materials and allow the synthesis of pure SAPO-34 with a wider range of Si incorporation.The crystallization processes at 200 and 240℃ were investigated and compared.We used the aminothermal method to synthesize SAPO-34-BA at 240℃ and also found n-propylamine is a suitable template for the synthesis of SAPO-34.The SAPO-34-BA products were characterized by many techniques.SAPO-34-BA has good thermal stability,crystallinity and porosity.BA remained intact in the crystals with ~1.8 BA molecule per chabazite cage.The catalytic performance of SAPO-34 was tested in the methanol amination reaction,which showed high methanol conversion and selectivity for methylamine plus dimethylamine under the conditions investigated,suggesting that this material is a good candidate for the synthesis of methylamines.

Comparative Efficacy of Polyamine-Based Scavenger Resins

Polyamine-based scavenger resins containing 2, 3 and 4 nitrogen atoms have been prepared and their comparative efficacy to scavenge appropriate electrophilic chemicals (acids, acid chlorides, isocyanates and aldehydes) from solutions has been studied. As expected, the scavenging efficiency is directly proportional to the number of nucleophic nitrogens present on the resin. The results have been compared with the performance of the popular scavenger resin, namely, tris(2-aminoethyl)amine resin, to conclude that the low-cost polyamine resins now prepared can be conveniently used as effectively as the expensive commercial product.

Heat of absorption of CO_2 in aqueous N,N-diethylethanolamine+ N-methyl-1,3-propanediamine solutions at 313 K

Differential heat of absorption of CO_2 in aqueous solutions of N,N-diethylethanolamine(DEEA) and activated DEEA solutions up to a total concentration of 2 mol·L^(-1) was measured as a function of CO_2 loading at 313.15 K using a reaction calorimeter. In order to analyze the performance of N-methyl-1,3-propanediamine(MAPA)as an activator, DEEA blended solutions containing 0.05, 0.1 and 0.2 mol·L^(-1) MAPA were studied. The heat of CO_2 absorption in single DEEA solutions was unaffected by changing the DEEA concentration in the range of(0.5–2) mol·L^(-1). On the other hand, increasing the concentration of MAPA in aqueous amine mixtures of(DEEA + MAPA) raised the heat of absorption.

Preparation of 2,5-Bis(Aminomethyl)Furan by Direct Reductive Amination of 2,5-Diformylfuran over Nickel-Raney Catalysts

The direct reductive amination of 2,5-diformylfuran (DFF) with ammonia to 2,5-bis(aminomethyl)furan (BAF) was demonstrated, for the first time, over the commercial type Nickel-Raney and acid treated Nickel-Raney catalysts. The effects of reaction parameters such as reaction medium, temperature and hydrogen pressure were described. The acid treated Nickel-Raney catalyst exhibited the highest BAF yield in the THF-water mixed reaction medium. The relatively higher Ni0 species composition and larger surface area of the acid treated Nickel-Raney catalyst with specific reaction conditions contributed greatly to the BAF formation. The oligomeric species, such as furanic imine trimers and tetramers confirmed by MALDI-MS analysis were presented as the intermediates of DFF reductive amination.

Effects of N-(3',4',5'-Trimethoxycinnamoyl) ortho-Aminobenzoic Acid on Antigen-induced Contraction of Guinea-pig Ileum and the Degranulation of and Histamine Release from Mast Cells

N-(3′,4′,5′-Trimethoxycinnamoyl)ortho-aminobenzoic acid(TOA),at the concentration of 80μg/ml,significantly inhibited the antigen-induced contraction of ileum isolated from the actively sensitized guinea-pig.At the concentrations of 25 and 50μg/ml, TOA inhibited homocytotropic antibody-mediated degranulation of mast cells in the rat mesentery,and also inhibited anaphylactic histamine release from rat peritoneal mast cells.

Optimization of reaction for synthesis of polyisobutylene amine between amination agent and epoxy polyisobutylene

An optimization study on the amination reaction of epoxy polyisobutylene for synthesis of polyisobutylene amine is presented. The experimental results indicate that n-butanol and ethylenediamine are the suitable solvent and amination agents for the reaction, respectively. The reaction yield of the amination reaction is notably increased with the enhanced molar ratio of either n-butanol against epoxy polyisobutylene or ethylenediamine against epoxy polyisobutylene. Also, the yield is enhanced with increasing temperature and time during the experimental range. Strikingly, the yield reaches as high as 91. 30% under optimal conditions; with the molar ratio of ethylenediamine, n-butanol and PIBO of 10∶ 6∶ 1, the reaction temperature of 150 ℃ and the reaction time of 6 h. In addition, the yield of the reaction is slightly decreased with the enhanced water content of the system. Accordingly, the mass concentration of water should be controlled within 1. 7% during the reaction.

Cu^(I)/amine仿生催化胺选择性氧化生成腈的反应机理研究

胺的有氧氧化是有机合成中应用广泛的过程之一,其产物腈类化合物在医药、农药和香料等重要中间体被广泛应用。通过密度泛函理论(DFT)在分子水平上对Cu^(I)/amine仿生催化体系选择性氧化胺生成腈的详细反应机理、抗衡离子及溶剂对反应活性的控制因素进行了详细分析,发现机理分为两步进行:第一步为生成关键活性亚胺中间体(5)过程,该过程存在单核(PathⅠ)和双核(PathⅡ)反应路径,计算结果表明两条路径均为可能路径,并以单核机理(PathⅠ)路径为主导路径;第二步为生成腈过程,该过程存在两条可能路径(Path A和Path B),能量跨度模型分析表明Path B为优势路径,δE=16.6 kcal/mol,TOF=4.14 s^(-1)。此外,还发现抗衡离子I^(–)的存在明显降低了反应路径的能垒,而溶剂则对反应能垒没有明显影响。

规则型数据采掘工具集AMINER

介绍了一个规则型数据采掘工具集AMINER ,其目标是增强知识表达的能力 ,并形成一个实用的数据采掘工具 ,使其能适用于多种不同的应用领域。工具集以一定程度上通用的CRD方法为基本采掘算法 ,分为数据预处理、数据采掘和数据评价三大主要模块。系统原型是一个在关系或演绎数据库中采掘规则型知识 ,并对领域知识和采掘结果进行管理的系统 ,其主要功能包括数据采掘、领域知识的管理和采掘结果的管理。最后 ,对未来的工作提出了展望。

Thermodynamics and kinetics of adsorption for heavy metal ions from aqueous solutions onto surface amino-bacterial cellulose

Amino-bacterial cellulose（amino-BC） was prepared by chemical modification of bacterial cellulose（BC）.The adsorption characteristics and mechanism of amino-BC were studied.The results show that adsorption data can be fitted well by Langmuir equation and the pseudo-second order kinetics,indicating that the adsorption of amino-BC would obey monolayer molecule adsorption and the main action was chemisorption.Meanwhile,the adsorption process was studied by the Elovich equation and the intra-particle diffusion model,indicating that the absorption characteristics of metal ions on amino-BC is controlled by both film diffusion and particle diffusion.The increase of reaction temperature will accelerate the adsorbing rate because of endothermic reaction.

Dynamics simulation of tertiary amines adsorbing on kaolinite(001) plane

The collecting power of tertiary amines（DRN,DEN and DPN） on kaolinite follows the order of DENDPNDRN.After reacting with DRN,DEN and DPN,the surface potentials of kaolinite increase remarkably,and the recruitments caused by collectors also follow the order of DENDPNDRN.The results of dynamics simulation show that the geometries of substituent groups bonding to N are deflected and twisted,and some of bond angles are changed when tertiary amines cations adsorb on kaolinite（001） surface.Based on the results of dynamics simulations and quantum chemistry calculations,the electrostatic forces between three tertiary amines cations and 4×4×3（001） plane of kaolinite are 1.38×10？7 N（DRN12H＋）,1.44×10-6 N（DEN12H＋）,1.383×10-6 N（DPN12H＋）,respectively.

Studies on the Molecular Chain Conformation Stability of Aminated Konjac Glucomannan

Konjac glucomannan （KGM） was aminated by 2-chloroethyl-amine （CEA） as reagent so as to study the influence of concentration of CEA （based on the amount of KGM）, concentration of NaOH, reaction time and temperature on the extent of amination. And the molecular simulation technology was adopted to analyze the conformation stability of aminate （AKGM）. The results indicate that when the amount of CEA is higher, the extent of amination is higher. The optimum concentration of NaOH, reaction time and temperature are 10% NaOH, 70 ℃ and 45 rain, respectively. IR shows KGM is successfully aminated. The conformation of AKGM is in a random clew-like shape.

Semicarbazide-Sensitive Amine Oxidase对血糖调节作用研究

Semicarbazide-Sensitive Amine Oxidase(SSAO)是一类在人体内广泛分布但生理功能尚不清楚的酶。本研究中我们首次在动物模型上发现了SSAO活性对大鼠血糖的影响。通过使用SSAO的高选择性抑制剂MDL-72974A以及它的内源性底物甲胺等对动物进行处理,研究血糖与SSAO活性的关系。SSAO活性用同位素标记法以14C-苯甲胺为底物进行测定,血糖则采用己糖激酶法测定。此外我们还测定了尿甲醛排泄以考察SSAO催化脱氨反应是否发生。实验结果显示,抑制SSAO活性可以导致动物血糖升高,并且SSAO底物甲胺可以降低糖尿病鼠血糖。这些结果表明SSAO可能在血糖调节方面有某种作用,进一步研究将对发展糖尿病治疗策略有重要意义。

Enhancement of CO_2 adsorption on nanoporous chromium terephthalate(MIL-101) by amine modification

Carbon dioxide （CO2） adsorption on a standard metal-organic framework MIL-101 and a pentaethylenehexamine modified MIL-101 （PEHA- MIL-101） are investigated and compared in this study. The adsorbent samples were characterized by XRD, FT-IR and nitrogen adsorption- desorption isotherms analysis. CO2 adsorption capacity was measured by a volumetric method. MIL-101 and PEHA-MIL-101 exhibited CO2 adsorption capacities of 0.85 and 1.3 mmO1CO2/gadsorbent at 10 bar and 298 K, respectively. It is observed that CO2 adsorption capacity was fairly improved about 50% after amine modification.