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APPLIED CATALYSIS B-ENVIRONMENTAL · 2024 · IF 20.2

Efficient catalytic hydrolysis of HCN by La-TiO2: La modulates the generation of surface-rich hydroxyl environment

Jiaqi Li,Mingfei Wang,Jiamin Qi,Xueqian Wang,Langlang Wang,Fei Wang,Kai Li,Yixing Ma,Ping Ning

Hydrogen cyanide (HCN), a common toxic and hazardous air pollutant in industrial exhaust, catalytic hydrolysis of HCN has been the focus of air pollution control research. In this study, a catalyst material (La-TiO 2 ) with high catalytic hydrolysis activity for HCN was obtained by loading La 2 O 3 on the TiO 2 surface, which could realize the complete conversion of HCN at 150 °C with high selectivity of NH 3 and CO 2 . The relevant characterization confirms that La 2 O 3 can be uniformly distributed on the TiO 2 , which can adjust the acid-base structure of the catalyst surface and induce the generation of multi-hydroxyl structures in TiO 2 . On this basis, the combination of in-situ technique and density functional theory (DFT) calculations confirmed that the loading of La 2 O 3 prompted the La-TiO 2 catalyst to activate H 2 O to generate surface hydroxyl groups (-OH), which further enriched the hydroxyl groups on TiO 2 and substantially improved the hydrolysis activity and NH 3 selectivity of the catalyst. And the study confirms that the hydroxyl-rich environment easy combine with the reaction intermediate (formic acid) to generate CO 2 and H 2 O, which accelerated the reaction rate, thus improving the conversion efficiency of HCN and lowering the catalytic conversion temperature. In addition, O 2 can continuously consume the remaining hydrogen atoms after the dissociation of H 2 O to generate hydroxyl groups again, thus effective enhancing catalyst stability. This study provides new theoretical support for the catalytic hydrolysis of HCN and new insights and ideas for the design and development of catalysts for the catalytic hydrolysis of HCN.

CAS / MDL: 1344-28-1
研究领域: 环境科学 · 催化化学
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EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY · 2019 ·Vol. 121 ·期 11 ·1900210 · IF 1.852

Corrosion Behavior of Bitter Almond Oil During Processing

Xiaohui Mao,Hailan Zhu,Zhong Zhao,Xiuzhu Yu

This study aims to explore the corrosion behavior of bitter almond oil (BAO) during processing. Hydrocyanic acid (HCN) and benzoic acid in oil are speculated as the main components that corrode the screw oil expeller. Immersion and simulation corrosion tests are carried out to verify this hypothesis. Immersion test results show that crude BAO (CBAO) containing 5.07 ± 0.06 mg kg −1 benzoic acid and 4.25 ± 0.04 mg kg −1 HCN exhibits corrosive effects on steel. Simulation corrosion test results indicate that the addition of CN − or benzoic acid has significant effect on the corrosion of steel. Specifically, at ≥1 × 10 4 mg kg −1 benzoic acid concentration or ≥5 mg kg −1 CN − concentration, the mass of steel blocks in oil decreases and the contents of Fe, Zn, Al, and Mg ions in oil increase significantly. Therefore, HCN in CBAO is the main cause of screw oil expeller corrosion in BAO processing and benzoic acid is the secondary cause. Practical Applications : The corrosion behavior of CBAO not only damages the integrity of the screw oil expeller but also increases the dissolution of toxic metals from the components into oil. The study of corrosion has practical value in taking effective measures, such as detoxification before pressing and addition of natural inhibitors, to reduce corrosion and ensure the quality of CBAO. Corrosion study provides the basis for the selection of steel materials of screw oil expeller.

CAS / MDL: 65-85-0
研究领域: 食品科学 · 材料科学 · 化学工程
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Asia-Pacific Journal of Chemical Engineering · 2012 ·Vol. 8 ·期 4 ·567-577 · IF 0.758

The effect of Ca on distribution of nitrogen species during coal pyrolysis in N2, CO2 and Ar atmospheres

Ying Gu,Xiaowei Liu,Bo Zhao,Wenqiang Liu,Minghou Xu

Nitrogen species distribution during coal pyrolysis with Ca addition in N 2 , CO 2 and Ar was studied at 1000 °C using a horizontal tube furnace. In particular, the effect of Ca on the distribution of nitrogen species in N 2 and CO 2 atmospheres, which were closer to pyrolysis processes of conversional air and oxy-fuel combustion in comparison with inert Ar environment, was investigated for the first time in this work. It was found that Ca has a great effect on nitrogen species distribution during both coal and demineralized coal pyrolysis; on the other hand, CO 2 causes the formation of NO. Demineralization increases the formation of HCN and char nitrogen, but there is little effect on NH 3 formation during pyrolysis in N 2 , in contrast to pyrolysis in Ar atmosphere, which decreases NH 3 formation. A significant reduction in char yield was found after char gasification in CO 2 at 1000 °C. With two different Ca-based additives, i.e., (CH 3 COO) 2 Ca and Ca(OH) 2 , char yield decreases with the increasing amount of Ca additives in both cases. The effect of Ca on HCN and NH 3 formation during pyrolysis depends on both the form of Ca and the amount of addition. In most cases, HCN and NH 3 formation decreases with Ca addition in Ar, but increases in N 2 . Ca addition slightly promotes HCN formation during pyrolysis in CO 2 . There is no NH 3 detected during pyrolysis in CO 2 because of the reaction of NH 3 and CO 2 in the background. In addition, NO concentration decreases sharply with increasing the amount of Ca addition in the atmosphere of CO 2 , which means that Ca has an effect not only on pyrolysis, but also on gasification of char in CO 2 . In most cases, char nitrogen increases with Ca addition in N 2 or Ar. © 2012 Curtin University of Technology and John Wiley & Sons, Ltd.

CAS / MDL: 1305-62-0
研究领域: 能源科学 · 环境科学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2019 · IF 2.983

Solution degradant of mirabegron extended release tablets resulting from a Strecker-like reaction between mirabegron, minute amounts of hydrogen cyanide in acetonitrile, and formaldehyde in PEG during sample preparation

Jinsheng Lin,Tianpei Huang,Mengxue Feng,Dan Li,Danna Zhao,Jichao Wang,Jianyang Jin,Wenquan Zhu,Min Li

During the related substances testing of mirabegron extended release tablets, an unknown peak was observed in HPLC chromatograms in a level exceeding the identification threshold. By using a strategy that combines LC–PDA/UV-MS n with mechanism-based stress studies, the unknown peak was rapidly identified as cyanomethyl mirabegron, a solution degradant that is caused by a Strecker-like reaction between the API, formaldehyde (an impurity in PEG), and HCN (an impurity in HPLC grade acetonitrile). The mechanism of the solution degradation chemistry was verified by stressing mirabegron with formaldehyde and trimethylsilyl cyanide (TMSCN, a synthetic reagent that generates HCN upon contact with water), in which the secondary amine group of mirabegron first reacts with formaldehyde to form the iminium ion intermediate; the latter then undergoes a nucleophilic attack by cyanide to yield the cyanomethyl mirabegron. The structure of the impurity was further confirmed through the synthesis of the impurity and subsequent structure characterization by 1D and 2D NMR. Due to the ubiquitous presence of formaldehyde in pharmaceutical excipients (e.g., PEG and polysorbate) and trace amount of HCN in HPLC grade acetonitrile, this type of solution degradation would likely occur in sample preparations of pharmaceutical finished products containing APIs with primary and secondary amine moieties. In a GMP environment, such an event may trigger undesirable out-of-specification (OOS) investigations; the results of this paper should help resolve such OOS investigations or even prevent these events from happening in the first place.

CAS / MDL: 7677-24-9
研究领域: 药物化学 · 分析化学 · 制药工程
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Energies · 2015 ·Vol. 8 ·期 11 ·13021-13032 · IF 2.072

Effects of Alkali and Alkaline Earth Metals on N-Containing Species Release during Rice Straw Pyrolysis

Pan Gao,Lu Xue,Qiang Lu,Changqing Dong

To study the effects of inherent and external alkali and alkaline earth metallic species (AAEMs,i.e., K, Ca and Mg) on the behavior of N-containing species release during rice straw (RS) pyrolysis, different pretreatments were applied in numerous experiments. Results indicate that ammonia (NH3) and hydrogen cyanide (HCN) are the major N-containing species and that the yields of isocyanic acid (HNCO) and nitric oxide (NO) are relatively low. The removal of inhert AAEMs shifts N-containing species release to a high-temperature zone according to volatile release behavior because of the increase in activation energy. The formation selectivity of NH3, HNCO, and NO increases by demineralized pretreatment, whereas HCN selectivity decreases. The formation of HNCO is mainly affected by alkaline earth metal. N-containing species release occurs in low temperatures with the addition of external AAEMs. The activation energy of samples impregnated with CaCl2and MgCl2sharply decreases compared to the original RS. The total yields of N-containing species are reduced significantly in the presence of KCl, CaCl2, and MgCl2as additives. The inhibition ability of AAEMs follows the sequence MgCl2> CaCl2> KCl. The inhibition effect of MgCl2can be improved by solution immersion compared with solid powder mixing. The clean biomass pyrolysis and gasification technology with low N-containing species content may be developed according to the results.Keywords:pyrolysis;N-containing species;alkali and alkaline earth metals (AAEMs);formation selectivity;relative yield

研究领域: 能源与环境科学 · 化学工程
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MATERIALS RESEARCH INNOVATIONS · 2015 · IF 0.83

Functional porous carboxymethylcellulose microspheres – preparation and reduction of hydrogen cyanide yield in cigarette smoke

P. J. Sun,S. Yang,X. H. Sun,Y. Z. Jia,Y. P. Wang,H. B. Wang,J. W. Guo,C. Nie

To selectively reduce the yield of hydrogen cyanide in cigarette smoke, porous carboxymethylcellulose microspheres were prepared through the sol–gel method. Cupric ions, the functional groups that have high complexing ability to hydrogen cyanide, were introduced to the carboxymethylcellulose microspheres during the sol–gel process. The microspheres were characterised using nitrogen adsorption and scanning electron microscopy. The microspheres have a predominantly macroporous structure indicating weak physisorption properties, but sufficient functional cupric ions groups to selectively adsorb hydrogen cyanide. With these carboxymethylcellulose microspheres as filter additives, the smoke yield of hydrogen cyanide could be reduced by up to 42%, indicating great potential of these microspheres as absorbents for removing hydrogen cyanide from cigarette smoke.

CAS / MDL: 9004-32-4
研究领域: 材料科学 · 烟草研究 · 环境健康
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Polymers · 2019 ·Vol. 11 ·期 1 ·181 · IF 3.164

Functional Porous Carboxymethyl Cellulose/Cellulose Acetate Composite Microspheres: Preparation, Characterization, and Application in the Effective Removal of HCN from Cigarette Smoke

Peijian Sun,Song Yang,Xuehui Sun,Yipeng Wang,Lining Pan,Hongbo Wang,Xiaoyu Wang,Jizhao Guo,Cong Nie

To selectively reduce the yield of hydrogen cyanide (HCN) in the cigarette smoke, functional porous carboxymethyl cellulose/cellulose acetate (CMC/CA) composite microspheres were prepared via the double emulsion-solvent evaporation method. Cupric ions, which have a high complexing ability toward HCN, were introduced to the CMC/CA composite microspheres during the fabrication process via an in situ ion cross-link method. The microspheres were characterized using nitrogen adsorption, mercury intrusion porosimetry, and scanning electron microscopy (SEM). The microspheres have a predominantly macroporous structure indicating weak physisorption properties, but sufficient functional cupric ion groups to selectively adsorb HCN. With these CMC/CA microspheres as filter additives, the smoke yield of HCN could be reduced up to 50%, indicating the great potential of these microspheres as absorbents for removing HCN from cigarette smoke.Keywords:porous microspheres;carboxymethyl cellulose;cellulose acetate;cupric ions;chemisorption;hydrogen cyanide;smoke yield

CAS / MDL: 9004-32-4 9002-89-5
研究领域: 材料科学 · 烟草研究 · 环境健康
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Nature Communications · 2024 ·Vol. 15 ·期 1 ·1-12 · IF 14.7

Mandelonitrile produced by commensal bacteria protects the Colorado potato beetle against predation

Kang Wei-Nan,Pan Yang,Liao Lan-Lan,Wu Yi-Kuan,Zhang Xiao-Qing,Jin Lin,Fu Kai-Yun,Guo Wen-Chao,Li Guo-Qing

Larvae and adults of the Colorado potato beetle ( Leptinotarsa decemlineata ), a major pest of potato crops, display conspicuous coloration to advertise their toxicity to predators. However, the identity of the toxic compounds remains unclear. Here, we show that larvae and adults release toxic hydrogen cyanide (HCN) from the degradation of mandelonitrile and other cyano-compounds, which are produced by commensal bacteria. We isolate the bacterium Proteus vulgaris Ld01 from the insect’s gut, and show that it produces HCN and a mandelonitrile-producing cyanoglucoside, amygdalin. Knockout of a gene ( hcnB ) encoding putative hydrogen cyanide synthase impairs HCN production in P. vulgaris Ld01. Antibiotic treatment of larvae, to eliminate their commensal bacteria, leads to a substantial reduction of HCN emission in larvae and adults. HCN release by bacteria-deprived beetles can be restored by addition of mandelonitrile or by re-infection with P. vulgari s Ld01 (but not with its ∆ hcnB1 or ∆ hcnB2  mutants). Finally, we use dual-choice experiments to show that domestic chicks prefer to eat bacteria-deprived larvae over control larvae, larvae re-colonized with P. vulgaris Ld01, or mandelonitrile-injected larvae. Our work highlights the role of the beetle’s intestinal bacteria in the production of the cyanoglucoside amygdalin and its derived metabolites, including mandelonitrile and HCN, which protect the insect from predation.

CAS / MDL: 100-52-7
研究领域: 昆虫学 · 微生物学 · 化学生态学 · 昆虫毒理学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2021 · IF 3.935

Investigation of an artificial solution degradant of linagliptin: An undesired linagliptin urea derivative generates in sample preparation of linagliptin tablet treated by sonication in acetonitrile containing diluent

Jinsheng Lin,Feifei Chen,Chaohua Bao,Jian Ma,Dan Li,Lewei Zheng,Wenquan Zhu,Wenbin Chen,Xiaoming Liu

During the related substances testing method development for linagliptin tablet, an unknown peak was observed in HPLC chromatograms with a level exceeding the identification threshold. By using a strategy that combines LC-PDA/UV-MS n with mechanism-based stress studies, the unknown peak was rapidly identified as linagliptin urea, a solution degradant that is caused by the reaction between the API and hydrocyanic acid with sonication treatment to accelerate dissolution of the drug substance in sample preparation of linagliptin tablets, and hydrocyanic acid is a known impurity in HPLC grade acetonitrile and acetonitrile is used as part of diluent. The mechanism of the solution degradation chemistry was verified by stressing linagliptin API with trimethylsilyl cyanide (TMSCN, which can give off HCN slowly in the presence of water) treated with sonication in the sample preparation. Further investigation found that when the sonication treatment was replaced by vortex vibration in the process of the sample preparation, the RRT 1.28 species was decreased to below the level of the detection limit (0.02%). The structure of this impurity was further confirmed through the synthesis of the impurity and subsequent structure characterization by 1D and 2D NMR . Due to the presence of trace amount of HCN in HPLC grade acetonitrile, these types of solution degradation would likely occur in analysis of pharmaceutical finished products containing APIs with primary and secondary amine moieties drug product during sample preparations, particularly when sonication treatment is used to accelerate dissolution of drug substance from the finished drug product. In the GMP quality control laboratories, such events may trigger undesirable out-of-specification (OOS) events. Hence, the results of this paper can help to prevent these events from happening in the first place or resolve these OOS events in GMP laboratories.

研究领域: 药学 · 分析化学 · 质量控制
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FOOD CHEMISTRY · 2025 · IF 9.8

Rapid determination of amygdalin in almonds and almond-based products using lateral flow immunoassay based on gold nanoparticles

Xiaofang Li,Lingling Guo,Liqiang Liu,Hua Kuang,Chuanlai Xu,Xinxin Xu

Amygdalin is a phytotoxin that releases hydrocyanic acid, a highly toxic substance, under the action of enzymes or acids, posing a threat to human health. In this study, a highly sensitive and specific monoclonal antibody (mAb) 3D11, with a half-maximal inhibitory concentration of 0.66 ng/mL, was developed through similarity calculation and molecular structure, molecular spatial overlap, electrostatic potential distribution, and HOMO-LUMO orbitals analyses of hapten design principles. A gold nanoparticle-based lateral flow immunoassay (GNP-LFIA) was developed to detect amygdalin in almonds and almond-based products, with a visual detection limit of 2–10 μg/kg and a detection limit of 0.27–1.27 μg/kg. The recoveries of GNP-LFIA ranged from 94.02 % to 109.50 %, and the accuracy and reliability were further confirmed by testing positive samples, demonstrating that GNP-LFIA can be a practical tool for the rapid on-site detection of amygdalin in almonds and almond-based products.

研究领域: 食品安全 · 分析化学 · 免疫学 · 纳米技术 · 毒理学
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PROGRESS IN ORGANIC COATINGS · 2021 · IF 5.161

Biomaterial arginine encountering with UV grafting technology to prepare flame retardant coating for polyacrylonitrile fabric

Yansong Liu,Jiayue Zhang,Yuanlin Ren,Guoli Zhang,Xiaohui Liu,Hongqiang Qu

In order to endow polyacrylonitrile (PAN) fabric with excellent thermal and flame retardant properties, glycidyl methacrylate (GMA) was grafted on the surface of PAN fabric by UV-induced grafting technology to obtain GMA grafted PAN fabric (PAN-g-GMA). Next, L-Arginine was introduced to PAN-g-GMA (PAN-g-GMA/Arg) through the reaction of the amino groups in L-Arginine and the epoxy groups in GMA units. Then the flame retardant PAN fabric (FR-PAN) was prepared via the phosphorylation of PAN-g-GMA/Arg. When the grafting percentage was up to 13.5 wt%, the residual char of FR-PAN at 800 °C reached 51.6 wt%, indicating improved thermal stability. In addition, compared to PAN sample, the peak of heat release rate (PHHR) and total heat release (THR) of FR-PAN were remarkably decreased by 36.3% and 8.1% respectively, demonstrating excellent flame retardancy. Moreover, the elongation at break of FR-PAN fabric was increased by 53.6%. The cyclization of PAN induced by phosphoric acid reduced the chain breakage and inhibited the degradation of PAN. Moreover, the introduced amino acids delayed the release of HCN and other pyrolysis volatiles, meanwhile, the released NO and other non-combustible gases prevented oxygen from entering the combustion zone. This work presents a facile strategy for the application of amino acid materials in flame retardant PAN materials.

研究领域: 材料科学 · 纺织工程 · 消防安全 · 化学工程
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Materials Research Express · 2021 ·Vol. 8 ·期 3 ·035009 · IF 1.62

Effect of porous corncob on the removal of HCN in cigarette mainstream smoke

Yipeng Wang,Yunzhen Jia,Xuehui Sun,Peijian Sun,Song Yang,Quanping Yan,Bin Peng,Jizhao Guo,Xiaobing Zhang,Cong Nie

In order to reduce the hydrogen cyanide (HCN) release in cigarette mainstream smoke, a new type of porous corncob (PCC) material which was different from traditional corncob-based activated carbon was prepared by a two-step chemical reaction of carboxymethylation and cupric ion complexation. Fourier Transformation Infrared Spectroscopy (FTIR) showed that the carboxymethyl group had been introduced onto the corncob, the carboxymethyl content and the cupric ion loading amount were measured. The x-ray photoelectron spectrometer (XPS) results showed that the Cu content on the surface of PCC was much higher than that of the whole material. The scanning electron microscope (SEM) and nitrogen adsorption-desorption results suggested that PCC had a porous structure. With the increase of the amounts of chloroacetic acid and sodium hydroxide in carboxymethylation reaction and the concentration of cupric ion aqueous solution in complexing reaction, the BET surface areas and pore volumes increased, while the most probable pore sizes of PCCs were close to each other. Compared with the control cigarette, the addition of PCC could effectively remove the HCN release in cigarette mainstream smoke, and the highest reduction rates of HCN per total particulate matter (TPM) was 72.4 %.

CAS / MDL: 7758-99-8 1310-73-2
研究领域: 材料科学 · 化学 · 烟草研究
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