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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2024 · IF 6.2

The involvement of nicotinate and nicotinamide metabolism pathway in attenuating benzene-induced mouse hematotoxicity

Rongfang Yang,Jiaxin Zhang,Xiumei Xing,Shiyuan Zhong,Wenxue Li,Lixian Wen,Yuwei Zhang,Hongwei Zhou,Shen Chen,Wen Chen,Yongmei Xiao,Liping Chen

Benzene exposure has been linked to various adverse health effects. However, the effective strategy for prevention or treatment of benzene-induced hematotoxicity remains unsolved. We previously administrated hepatocyte-specific deletion of Ppp2r1a gene (encoding PP2A Aα subunit) mice with benzene via inhalation for 28 days, and found homozygote (HO) mice exhibited alleviative hematotoxicity compared with wild type (WT) mice. Here, we integrate untargeted metabolomics and transcriptomics data to identify the key metabolic pathways and metabolites attenuating benzene-induced hematotoxicity. Metabolomics analysis revealed the perturbation of nicotinate and nicotinamide metabolism, as well as taurine and hypotaurine metabolism pathways, were implicated in regulating benzene-induced hematotoxicity. Meanwhile, transcriptome analysis showed that immune-, inflammation-, and metabolism-related pathways were obviously disturbed in WT mice groups upon benzene exposure, while sirtuin signaling pathway, associated with nicotinate and nicotinamide metabolism, was activated in HO mice groups. Notably, combined metabolomics and transcriptomics analysis further confirmed the involvement of nicotinate and nicotinamide metabolism, taurine and hypotaurine metabolism pathways in relieving benzene-induced hematotoxicity. Specific metabolites, including 1-methylnicotinamide (MNA), nicotinamide (NA), β-nicotinamide mononucleotides (NMN), and taurine were identified as the potential metabolites alleviating benzene-induced adverse effects. In vitro experiments demonstrated the protective effect of MNA and NA against 1,4-benzoquinone (1,4-BQ)-caused cytotoxicity in HL-60 cells. In vivo , MNA supplementation in drinking water could effectively restore the decline in white blood cell (WBC), lymphocyte (LYMPH), and reticulocyte (RET) counts, also mitigate oxidative damage and genotoxicity in response to benzene exposure. These observations highlight the potential of MNA supplementation as a strategy for preventing benzene-caused hematotoxicity.

CAS / MDL: 71-43-2
研究领域: 毒理学 · 代谢组学 · 分子生物学
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Analytical Methods · 2013 ·Vol. 5 ·期 20 ·5615-5621 · IF 1.855

Field-amplified sample injection for the determination of isonicotinamide and nicotinamide in whitening cosmetics and supplemented foodstuffs by MEKC

Hongli Sun,Yiwei Wu

A new micellar electrokinetic capillary chromatography (MEKC) method combined with field-amplified sample injection (FASI) has been developed for the analysis of isonicotinamide and nicotinamide in whitening cosmetics and supplemented foodstuffs. Parameters affecting FASI preconcentration and MEKC separation were optimized systematically. Compared with direct MEKC, the sensitivity of FASI-MEKC was improved by 12.8- and 9.8-fold for isonicotinamide and nicotinamide, respectively. The detection limits (LODs) of isonicotinamide and nicotinamide were 0.051 μg mL−1 and 0.069 μg mL−1, respectively, with RSD (intraday) < 4.9% (n = 7, c = 0.5 μg mL−1) and RSD (interday) < 6.4% (n = 5, c = 0.5 μg mL−1). The proposed method was successfully applied in determination of isonicotinamide and nicotinamide in whitening cosmetics and supplemented foodstuffs with acceptable recoveries of 84.7–108.4%.

CAS / MDL: 1453-82-3 98-92-0
研究领域: 分析化学 · 药物分析 · 化妆品科学
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CHEMICAL ENGINEERING RESEARCH & DESIGN · 2022 · IF 4.119

Cocrystal design of vanillin with amide drugs: Crystal structure determination, solubility enhancement, DFT calculation

Jinbo Ouyang,Xiaohong Xing,Limin Zhou,Chuntao Zhang,Jerry.Y.Y. Heng

Vanillin (VAN) is widely used in medicine, food and optoelectronics, but its low solubility leads to the decrease of bioavailability and increase of application costs. Three APIs-nicotinamide (NIC), isonicotinamide (INM) and isoniazid (INH) were chosen to form cocrystals with VAN, aiming at improving the solubility of VAN and APIs simultaneously. Two cocrystals (VAN-NIC, VAN-INM) were obtained through cocrystallization while VAN reacted with INH to form one novel compound (VAN-INH). The crystal structures were characterized by single-crystal X-ray diffraction (SCXRD), Powder X-ray diffraction (PXRD), Fourier-Transform Infrared Spectroscopy (FT-IR) and Differential Scanning Calorimetry (DSC). The melting temperatures of VAN-NIC and VAN-INM cocrystals are between this of VAN and APIs. Compared with pure VAN and APIs, the solubility and dissolution rate of VAN-NIC and VAN-INM are significantly increased. The melting temperature of VAN-INH is greater than that of VAN and INH, and the solubility and dissolution rate is not increased significantly. The intermolecular energy between VAN and APIs as well as lattice energies of cocrystals/novel compound were computed to elucidate the formation mechanism and stability. The present investigation opens a new pathway for the development of natural product-drug cocrystals to improve solubility and dissolution rate of natural product .

研究领域: 药学 · 材料化学 · 计算化学
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Scientific Reports · 2019 ·Vol. 9 ·期 1 ·1-11 · IF 4.011

Microbial Degradation of Nicotinamide by a Strain Alcaligenes sp. P156

Hu Chunhui,Zhao Shuxue,Li Kuiran,Yu Hao

A novel Alcaligenes sp. strain P156, which can utilize nicotinamide as its sole source of carbon, nitrogen and energy, was enriched and isolated from soil in a solid waste treatment plant. Aerobic growth and degradation with nicotinamide were characterized. Seven nicotinamide degradation-related genes were obtained by sequence alignment from the genome sequence of strain P156. Four genes, designated naaA , naaD , naaE and naaF , were cloned and heterologously expressed. Nicotinamide degradation is initiated by deamination to form nicotinic acid catalyzed by the nicotinamidase NaaA, which shares highest amino acid sequence identity (27.2%) with nicotinamidase from Arabidopsis thaliana . Nicotinic acid is converted to 6-hydroxynicotinic acid, which is further oxidized to 2,5-dihydroxypyridine (2,5-DHP). 2,5-DHP is then transformed to a ring-cleavage product, N -formylmaleamic acid, by an Fe 2+ dependent dioxygenase NaaD. N -formylmaleamic acid is transformed to fumaric acid through maleamic acid and maleic acid by NaaE and NaaF, respectively. To our knowledge, this is the first report of the complete microbial degradation of nicotinamide in bacteria. Nicotinamide is considered as a model compound for the study of microbial degradation of pyridinic compounds, and the nicotinamide degrading related genes in strain P156 were distributed differently from the reported similar gene clusters. Therefore, this study contribute to the knowledge on the degradation of pyridinic compounds.

研究领域: 微生物学 · 环境科学 · 基因组学
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Crystals · 2018 ·Vol. 8 ·期 9 ·336 · IF 2.144

Preparation and Characterization of Novel Pharmaceutical Co-Crystals: Ticagrelor with Nicotinamide

Muhammad Inam,Jiajia Wu,Jie Shen,Chi Uyen Phan,Guping Tang,Xiurong Hu

Two new co-crystals, Ticagrelor with Nicotinamide, have been prepared with improved solubility. Because Ticalegor has a poor solubility and dissolution rate, a novel co-crystallization method with structurally homogenous crystalline material, an active pharmaceutical ingredient (API), and co-former indefinite stoichiometric amount has been made to improve Ticagrelor’s solubility. The co-crystal of Ticagrelor (TICA) with Nicotinamide (NCA) was prepared in ratio (1:1) and confirmed by FTIR, DSC, and XRD characterization. Furthermore, the single crystal structure of TICA-NCA hydrate was analyzed. The solubility of co-crystals was investigated in pH 2 acidic medium, which was a significant improvement as compared to the solubility of a free drug. The in vitro dissolution rate of co-crystal was larger than that of the commercial product.Keywords:co-crystal;ticagrelor;nicotinamide;solubility;dissolution

CAS / MDL: 98-92-0
研究领域: 药学 · 材料科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2015 · IF 2.679

(Solid + liquid) phase diagram for (indomethacin + nicotinamide)-methanol or methanol/ethyl acetate mixture and solubility behavior of 1:1 (indomethacin + nicotinamide) co-crystal at T = (298.15 and 313.15) K

Xiaowei Sun,Qiuxiang Yin,Suping Ding,Zhiming Shen,Ying Bao,Junbo Gong,Baohong Hou,Hongxun Hao,Yongli Wang,Jingkang Wang,Chuang Xie

(Solid   +   liquid) equilibrium data for indomethacin (IMC) and nicotinamide (NCT) in both methanol (MeOH) and methanol/ethyl acetate (EA) mixture were determined using a static method at T   =   (298.15 and 313.15)   K under atmospheric pressure. The 1:1 (IMC   +   NCT) co-crystal and IMC·MeOH were found in both systems under conditions investigated. The solubility of the 1:1 (IMC   +   NCT) co-crystal was correlated using a mathematical model consisting of both solubility product and a complexation process. Solubility of (IMC   +   NCT) co-crystals as a function of co-former (NCT) concentration was evaluated. It was found that temperature has a significant effect on the formation of methanol solvate in the systems investigated. Solvate formation could be suppressed either by increasing temperature or using solvent mixtures. Additionally, the solvent mixture could level out the solubility differences between IMC and NCT , resulting in larger and more symmetric regions for the (IMC   +   NCT) co-crystal, which would be helpful to the development of the co-crystallization process for the 1:1 (IMC   +   NCT) co-crystal.

研究领域: 药学 · 物理化学
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Pharmaceutics · 2017 ·Vol. 9 ·期 4 ·54 · IF 0

Preparation and Characterization of Carbamazepine Cocrystal in Polymer Solution

Hao Zhang,Ying Zhu,Ning Qiao,Yang Chen,Linghuan Gao

In this study, we attempted to prepare carbamazepine (CBZ) cocrystal through the solution method in ethanol-water solvent mixture (volume ratio 1:1) and polyvinyl pyrrolidone (PVP) solution. Nicotinamide (NIC) and saccharin (SAC) were selected as cocrystal coformers. Cocrystal screening products were characterized by Fourier Transform Infrared Spectroscopy (FTIR), Differential Scanning Calorimetry (DSC), and Powder X-ray Diffraction (PXRD) techniques. Characterization results show that in ethanol-water solvent mixture, pure CBZ-NIC cocrystal can be prepared, while CBZ-SAC cocrystal cannot be obtained. The addition of PVP can inhibit CBZ-NIC cocrystal formation and facilitate CBZ-SAC cocrystal formation.Keywords:cocrystal preparation;polyvinyl pyrrolidone;carbamazepine;nicotinamide;saccharin

CAS / MDL: 98-92-0 81-07-2
研究领域: 药学 · 材料科学 · 化学
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JOURNAL OF BIOTECHNOLOGY · 2025 · IF 3.9

Systematic modification of high nicotinamide mononucleotide production in Escherichia coli

Zhaoyuan Zhang,Jiehu Liu,Meng Wang,Yang Li,Minglei Hou,Jiaren Cao,Jing Wu,Lingqia Su

Nicotinamide mononucleotide (NMN) serves as a crucial precursor in the biosynthesis of NAD + and has garnered significant attention in the food, dietary supplement, and cosmetic industries. This study engineered an Escherichia coli strain capable of high NMN production. Firstly, the strain with reduced NMN degradation and the ability to transport NMN extracellularly was constructed. Meanwhile, the gene encoding nicotinamide phosphoribosyltransferase ( pncA ) was disrupted to minimize substrate nicotinamide (NAM) degradation. Then, the induction starting point was optimized to alleviate the metabolic burden on the engineered strain. Subsequently, systematic remodeling of E. coli 's glucose metabolism was conducted to enhance its suitability for NMN production by overexpressing key enzymes of the pentose phosphate pathway (Zwf and Gnd), knocking out genes related to the Entner-Doudoroff pathway ( gntR and edd ), and further attenuating the glycolytic pathway. Then, we concentrated on optimizing the cellular metabolic state, meticulously balancing intracellular redox homeostasis. Finally, using glucose and 2   g/L of NAM as substrates, the extracellular NMN yield reached 4.96   g/L, which is the highest yield reported so far in similar research. These findings contribute to the commercial production of NMN and offer valuable insights for constructing efficient cell factories for other nucleotide compounds.

CAS / MDL: 98-92-0 1094-61-7
研究领域: 生物工程 · 合成生物学 · 微生物学
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ACS Applied Materials & Interfaces · 2020 · IF 8.758

Nicotinamide as Additive for Microcrystalline and Defect Passivated Perovskite Solar Cells with 21.7% Efficiency

Zhu Ma,Weiya Zhou,Dejun Huang,Qianyu Liu,Zheng Xiao,Huifeng Jiang,Zhiqing Yang,Wenfeng Zhang,Yuelong Huang

Passivation of electronic defects on the surface and at grain boundaries (GBs) of perovskite films has become one of the most effective tactics to suppress charge recombination in perovskite solar cells. It is demonstrated that trap states can be effectively passivated by Lewis acid or base functional groups. In this work, nicotinamide (NTM, commonly known as vitamin B3 or vitamin PP) serving as a Lewis base additive is introduced into the PbI2 and/or FAI: MABr: MACl precursor solution to obtain NTM modified perovskite films. It has been found that the NTM in the perovskite film can well passivate surface and GBs defects, control the film morphology and enhance the crystallinity via its interaction with a lone pair of electrons in nitrogen. In the presence of the NTM additive, we obtained enlarged perovskite crystal grain about 3.6 μm and a champion planar perovskite solar cell with efficiency of 21.72% and negligible hysteresis. Our findings provide an effective route for crystal growth and defect passivation to bring further increases on both efficiency and stability of perovskite solar cells.

CAS / MDL: 67-63-0 98-92-0
研究领域: 材料科学 · 能源科学 · 化学工程
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NANOTECHNOLOGY · 2022 ·Vol. 33 ·期 21 ·215705 · IF 3.953

Contribution of nicotinamide as an intracyclic N dopant to the structure and properties of carbon dots synthesized using three α-hydroxy acids as C sources

Zhen Mao,Hui Li,Na Gan,Zili Suo,Huan Zhang,Qiang Zhao

Fixed carbon source and different dopants are mainly used to study the effect of heteroatoms on the structure and properties of carbon dots (CDs). As reactants, some dopants with conjugated structure and high nitrogen content may have important contributions to the structure and properties of doped CDs in addition to providing heteroatoms. Herein, to study the effect of fixed dopant on the structure and properties of CDs, three different CDs were synthesized using nicotinamide (NAA) and three common α-hydroxy acids (4–5 carbon atoms), and the optimal conditions were determined by orthogonal experimentation. Transmission electron microscopic micrographs showed that the average size of CDs based on nicotinamide are relatively large, up to 19.40 nm. X-ray photoelectron spectroscopy and Fourier-transform infrared spectroscopy demonstrated that these CDs have graphite nitrogen and several functional group structures. Ultraviolet–visible absorption spectra, fluorescence emission spectra, and fluorescence lifetime illustrated that these CDs have similar emission centers (460–470 nm) and fluorescence processes. The influence of carbon source on the surface structure of CDs was determined by systematically analyzing the response of these CDs in different pH ranges. DFT calculations revealed the distribution characteristics of the electrons in the excited state at the HOMO and LUMO energy levels of CDs. All the above characterizations and calculations proved that NAA is a desirable dopant with an important contribution to the structure and properties of CDs.

CAS / MDL: 6119-70-6
研究领域: 材料科学 · 化学
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JOURNAL OF SEPARATION SCIENCE · 2022 ·Vol. 45 ·期 12 ·2045-2054 · IF 3.614

Enhanced capillary zone electrophoresis in cyclic olefin copolymer microchannels using the combination of dynamic and static coatings for rapid analysis of carnosine and niacinamide in cosmetics

Yali Chen,Ling Xia,Xiaohua Xiao,Gongke Li

Cosmetics that have medicinal effects, including anti-inflammatory and antioxidant, have become a daily care routine consumption. The peptide additives, such as carnosine and nicotinamide, were frequently used to realize these medicinal effects. To accomplish rapid and effective quantitation of carnosine and niacinamide in cosmetics, capillary zone electrophoresis was executed in cyclic olefin copolymer microchips having both dynamic and static coatings. The static coating of cyclic olefin copolymer microchannel was constructed from bovine serum albumin adsorption, immobilization, and active site closure, while the dynamic coating was formed by adding surfactant into running buffer of capillary zone electrophoresis. The static coating can improve the hydrophilicity of cyclic olefin copolymer surface and avoid nonspecific peptide adsorption. The dynamic coating of sodium dodecyl sulfate in running buffer proved to be useful in flow velocity adjustment and the column efficiency enhancement in the capillary zone electrophoresis separation channel of the cyclic olefin copolymer microchip device. A separation resolution up to 4.24 on the mixture of carnosine and nicotinamide was obtained. Moreover, an analysis method was established and applied to simultaneous carnosine and nicotinamide determination in a liquid whitening essence and a solid antiglycation pill, and the results were verified by comparison with high-performance liquid chromatography methods, indicating its potential in complex sample analysis.

研究领域: 分析化学 · 化妆品科学 · 生物医学
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INTERNATIONAL JOURNAL OF PHARMACEUTICS · 2022 · IF 6.51

The fingerprints of nifedipine/isonicotinamide cocrystal polymorph studied by terahertz time-domain spectroscopy

Pengfei Wang,Juntong Zhao,Yuman Zhang,Zhongjie Zhu,Liyuan Liu,Hongwei Zhao,Xianchao Yang,Xiaonan Yang,Xiaohong Sun,Mingxia He

Cocrystal is constructed to improve physicochemical properties of active pharmaceutical ingredient and prevent polymorphism via intermolecular interactions. However, recent examples on cocrystal polymorphs display significantly different properties. Even though some analytical techniques have been used to characterize the cocrystal polymorphic system, it remains unclear how intermolecular interactions drive and stabilize the structure. In this work, we study the cocrystal polymorphs of nifedipine (NFD) and isonicotinamide (INA) using terahertz (THz) spectroscopy. Form I and form II of NFD-INA cocrystals show spectral fingerprints in THz region. Temperature-dependent THz spectra display distinguished frequency shifts of each fingerprint. Combined with solid-state density functional theory (DFT) calculations, the experimental fingerprints and their distinct responses to temperature are elucidated by specific collective vibrational modes. The vibrations of hydrogen bonding between dihydropyridine ring of NFD and INA are generally distributed below 1.5 THz, which play important roles in stabilizing cocrystal and preventing the oxidation of NFD. The rotations of methyl group in NFD are widely distributed in the range of 1.5–4.0 THz, which helps the steric recognition. The results demonstrate that THz spectroscopy is a sensitive tool to discriminate cocrystal polymorphs. It has the potential to be used as a non-invasive technique for pharmaceutical screening.

研究领域: 药物化学 · 物理化学
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