interaction

Interaction
  • 文章类型: Journal Article
    背景:食品中的霉菌毒素污染越来越受到关注。与食品中的生物大分子相互作用的隐藏的霉菌毒素可能使霉菌毒素的检测不那么准确,可能导致对总暴露风险的低估。本研究探讨了霉菌毒素交替醇(AOH)和交替醇单甲醚(AME)与高分子谷蛋白的相互作用。
    结果:三种谷物(大米,玉米,和小麦)相对较低。分子动力学(MD)模拟表明AOH和AME自发结合谷蛋白。氢键和π-π堆叠是结合位点的主要相互作用力。当分析平均局部电离能时,具有一个额外羟基的交替醇对谷蛋白的结合亲和力强于AME。AOH和谷蛋白之间的平均相互作用能为-80.68KJmol-1,而AME的平均相互作用能为-67.11KJmol-1。
    结论:本研究通过MD和分子对接揭示了AOH(或AME)与高分子谷蛋白之间相互作用的机制。这可能有助于开发检测污染水平的有效方法。这些结果也可能在评估结合的替代毒素的毒理学特性中发挥重要作用。©2024化学工业学会。
    BACKGROUND: Mycotoxin contamination of food has been gaining increasing attention. Hidden mycotoxins that interact with biological macromolecules in food could make the detection of mycotoxins less accurate, potentially leading to the underestimation of the total exposure risk. Interactions of the mycotoxins alternariol (AOH) and alternariol monomethyl ether (AME) with high-molecular glutenin were explored in this study.
    RESULTS: The recovery rates of AOH and AME (1, 2, and 10 μg kg-1) in three types of grains (rice, corn, and wheat) were relatively low. Molecular dynamics (MD) simulations indicated that AOH and AME bound to glutenin spontaneously. Hydrogen bonds and π-π stacking were the primary interaction forces at the binding sites. Alternariol with one additional hydroxyl group exhibited stronger binding affinity to glutenin than AME when analyzing average local ionization energy. The average interaction energy between AOH and glutenin was -80.68 KJ mol-1, whereas that of AME was -67.11 KJ mol-1.
    CONCLUSIONS: This study revealed the mechanisms of the interactions between AOH (or AME) and high-molecular glutenin using MD and molecular docking. This could be useful in the development of effective methods to detect pollution levels. These results could also play an important role in the evaluation of the toxicological properties of bound altertoxins. © 2024 Society of Chemical Industry.
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  • 文章类型: Journal Article
    纳米结构学的方法论是使用纳米原子,分子,和纳米物体,就像建筑一样。纳米建筑学通过整合相关领域来追求材料科学的终极概念。在这篇综述论文中,在界面交互式纳米建筑学的标题下,将讨论结构制造和接口功能开发的几个例子,突出了考虑纳米级架构材料的重要性。两个部分在固体和液体表面提供了一些示例。在固体界面环境中,分子结构可以精确地观察和分析与理论计算。固体表面是分子水平的纳米结构的主要部位。固体表面的纳米结构学有可能为基于先进的观察和分析的尖端功能和科学铺平道路。液体表面比固体界面更具动力学和动态性,和他们的高流动性提供了许多可能性的结构制造的纳米结构。后一种特征在相互作用的自由和组件的多样性方面具有优势,因此,液体表面可能是更适合功能开发的环境。最后一部分然后讨论了在纳米结构学中材料创造的未来需要什么。
    The methodology of nanoarchitectonics is to construct functional materials using nanounits such as atoms, molecules, and nanoobjects, just like architecting buildings. Nanoarchitectonics pursues the ultimate concept of materials science through the integration of related fields. In this review paper, under the title of interface-interactive nanoarchitectonics, several examples of structure fabrication and function development at interfaces will be discussed, highlighting the importance of architecting materials with nanoscale considerations. Two sections provide some examples at the solid and liquid surfaces. In solid interfacial environments, molecular structures can be precisely observed and analyzed with theoretical calculations. Solid surfaces are a prime site for nanoarchitectonics at the molecular level. Nanoarchitectonics of solid surfaces has the potential to pave the way for cutting-edge functionality and science based on advanced observation and analysis. Liquid surfaces are more kinetic and dynamic than solid interfaces, and their high fluidity offers many possibilities for structure fabrications by nanoarchitectonics. The latter feature has advantages in terms of freedom of interaction and diversity of components, therefore, liquid surfaces may be more suitable environments for the development of functionalities. The final section then discusses what is needed for the future of material creation in nanoarchitectonics.
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  • 文章类型: Journal Article
    自闭症相关基因Shank3编码多种剪接同工型,Shank3a-f.我们最近报道,Shank3a/b敲除小鼠在4周龄时比野生型小鼠更容易受到红藻氨酸诱导的癫痫发作。鲜为人知,然而,关于Shank3a/b的N端和锚蛋白重复结构域(NT-Ank)如何调节发育中的大脑中的多个分子信号。为了探讨Shank3a/b的功能作用,我们对与GFP标记的NT-Ank相互作用的蛋白质进行了基于质谱的蛋白质组搜索。在这项研究中,预测NT-Ank可以形成多种复合物,总共有348个蛋白质,其中RNA结合(n=102),剪接体(n=22),和核糖体相关分子(n=9)显著富集。其中,一种X连锁的智力残疾相关蛋白,Nono,被鉴定为NT-Ank结合蛋白。免疫共沉淀试验验证了Shank3与Nono在小鼠脑中的相互作用。与这些数据一致,Shank3a/b敲除小鼠的丘脑异常表达自闭症相关基因的剪接同工型,Nrxn1和Eif4G1,癫痫发作前后用海藻酸治疗。这些数据表明Shank3与出生后大脑中的多种RNA结合蛋白相互作用,从而调节出生后自闭症相关基因剪接同工型的稳态表达。
    An autism-associated gene Shank3 encodes multiple splicing isoforms, Shank3a-f. We have recently reported that Shank3a/b-knockout mice were more susceptible to kainic acid-induced seizures than wild-type mice at 4 weeks of age. Little is known, however, about how the N-terminal and ankyrin repeat domains (NT-Ank) of Shank3a/b regulate multiple molecular signals in the developing brain. To explore the functional roles of Shank3a/b, we performed a mass spectrometry-based proteomic search for proteins interacting with GFP-tagged NT-Ank. In this study, NT-Ank was predicted to form a variety of complexes with a total of 348 proteins, in which RNA-binding (n = 102), spliceosome (n = 22), and ribosome-associated molecules (n = 9) were significantly enriched. Among them, an X-linked intellectual disability-associated protein, Nono, was identified as a NT-Ank-binding protein. Coimmunoprecipitation assays validated the interaction of Shank3 with Nono in the mouse brain. In agreement with these data, the thalamus of Shank3a/b-knockout mice aberrantly expressed splicing isoforms of autism-associated genes, Nrxn1 and Eif4G1, before and after seizures with kainic acid treatment. These data indicate that Shank3 interacts with multiple RNA-binding proteins in the postnatal brain, thereby regulating the homeostatic expression of splicing isoforms for autism-associated genes after birth.
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  • 文章类型: Journal Article
    了解盐离子之间的相互作用,在热条件下食品基质中的花青素和淀粉对于开发具有所需质量属性的淀粉基食品很重要。然而,盐离子的存在如何影响淀粉/花色苷二元体系的微观结构和性质尚不清楚。在这里,利用水稻淀粉(IRS)和水稻花色苷(RA)构建IRS-RA二元体系,在不同浓度的Na(10-40mM)和盐离子类型(Na和Ca2)下进行热处理。盐离子的掺入诱导了多孔凝胶基质的形成,通过静电相互作用破坏了淀粉和花色苷之间的氢键,降低二元系统的储能模量和回转半径,和增加相对结晶度(从1.08%到1.51%(20mMNa+)和1.69%(20mMCa+))的IRS-RA二元系统在90℃。此外,掺入盐离子后,二元系统在90°C下的DPPH自由基清除能力得到增强(在20mM离子浓度下,Na条件为0.93,Ca2条件为0.94)。值得注意的是,Ca2+包合比Na+存在的情况具有更显著的影响,可能是由于电荷密度增加。
    Understanding the interplay among salt ions, anthocyanin and starch within food matrices under thermal conditions is important for the development of starch-based foods with demanded quality attributes. However, how salt ions presence influences the microstructure and properties of starch/anthocyanin binary system remains largely unclear. Herein, indica rice starch (IRS) and rice anthocyanin (RA) were used to construct an IRS-RA binary system, with thermal treatment under different concentrations of Na+ (10-40 mM) and types of salt ions (Na+ and Ca2+). The incorporation of salt ions induced the formation of a porous gel matrix, and destroyed the hydrogen bond between starch and anthocyanin through electrostatic interactions, reducing the storage modulus and radius of gyration of the binary system, and increasing the relative crystallinity (from 1.08 % to 1.51 % (20 mM Na+) and 1.69 % (20 mM Ca+)) of the IRS-RA binary system at 90 °C. Also, the DPPH radical scavenging ability of the binary system at 90 °C was enhanced upon incorporating salt ions (0.93 for Na+ condition and 0.94 for Ca2+ condition at 20 mM ion concentration). It is noteworthy that Ca2+ inclusion had more significant effects than the case for Na+ presence, presumably due to the increased charge density.
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  • 文章类型: Journal Article
    多酚因其丰富的功能活性而受到广泛关注,如抗氧化剂,抗炎和抗肿瘤。然而,低的溶解度和差的稳定性限制了它们的生物利用度和功能活性。植物来源的铁蛋白笼具有独特的空心笼结构,可以嵌入多酚以改善其不利性能。因此,必须充分阐述和总结植物来源的铁蛋白笼,以最大限度地发挥其在营养干预中的潜在益处.这篇综述集中在植物来源的铁蛋白笼的基本性质,包括准备过程,净化技术,识别方法,以及结构和功能特性。综述了铁蛋白笼在多酚传递中的相关研究,包括水/脂溶性多酚的递送,铁蛋白笼的修饰,以及多酚和铁蛋白笼之间的相互作用。研究进展,介绍了植物源性铁蛋白笼在精确营养方面的不足和前景。此外,还讨论了铁蛋白在免疫应答和蛋白质工程中的相关研究,为植物源性铁蛋白笼在许多前沿领域的应用提供理论依据。
    Polyphenols have attracted extensive attention due to their rich functional activities, such as antioxidant, anti-inflammatory and anti-tumor. However, the low solubility and poor stability limit their bioavailability and functional activities. Plant-derived ferritin cages have a unique hollow cage structure that can embed polyphenols to improve their unfavorable properties. Therefore, it is essential to adequately elaborate and summarize plant-derived ferritin cages to maximize their potential benefits in nutritional interventions. This review focuses on the fundamental properties of plant-derived ferritin cages, including the preparation process, purification technology, identification methods, and structural and functional properties. The relevant research on ferritin cages in polyphenol delivery has been summarized, including the delivery of water/lipid soluble polyphenols, modification of ferritin cages, and the interaction between polyphenols and ferritin cages. The research progress, shortcomings and prospects of plant-derived ferritin cages in precise nutrition are introduced. In addition, the relevant research on ferritin in immune response and protein engineering is also discussed to provide the theoretical basis for applying plant-derived ferritin cages in many frontier fields.
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  • 文章类型: Journal Article
    非本地物种的渗入改变了野生种群的遗传组成,可能导致当地适应性丧失和健康下降。然而,野生种群的长期数据仍然相对较少。这里,我们研究了丹麦棕色鳟鱼渗入的影响(Salmotrutta,L、)人口,与非本地来源的驯化孵化鱼进行密集放养。我们使用了野生捕获的基因野生和混合鳟鱼以及来自部分驯化的孵化场菌株的鱼类,用于在这项研究之前的15年中放养河流,生产22个不同孵化场/野生混合物的家庭。在7、12和16°C下,从第一次喂食到23周,在鱼缸中进行了重复的普通花园实验,我们观察到家庭混合与终止时的鱼类大小之间存在显着的正相关关系,通过所有水平的混合物观察到的效果。此外,在较高的饲养温度下,混合效果最为明显。尽管用于放养的孵化场菌株已经培养了约7代,它没有被刻意选择来促进增长。因此,这些数据表明:(i)即使没有对该性状进行有意的定向选择,孵化场菌株的生长也增加了。(ii)温度对混合物的增加影响可能代表在较高温度下对孵化场菌株性能的无意选择,最重要的是,(iii)尽管在混合的野生种群中经历了多达五代的自然选择,遗传增加的生长潜力仍然是可检测到的,因此是持续的。我们的研究结果表明,改变的生长模式和潜在的级联效应对孵化场/野生渗入的严重程度很重要,特别是在气候变化的情况下,对于寻求评估包括恢复不足在内的种内杂交的长期影响的保护从业者具有普遍意义。
    Introgression of non-native conspecifics changes the genetic composition of wild populations, potentially leading to loss of local adaptations and fitness declines. However, long-term data from wild populations are still relatively few. Here, we studied the effects of introgression in a Danish brown trout (Salmo trutta, L.) population, subjected to intensive stocking with domesticated hatchery fish of non-native origin. We used wild-caught genetically wild and admixed trout as well as fish from the partly domesticated hatchery strain used for stocking the river up until ~15 years prior to this study, to produce 22 families varying in hatchery/wild admixture. Following a replicated common-garden experiment conducted in fish tanks from first feeding through 23 weeks at 7, 12, and 16°C, we observed a significant positive relationship between family admixture and fish size upon termination, an effect observed through all levels of admixture. Furthermore, the admixture effect was most distinct at the higher rearing temperatures. Although the hatchery strain used for stocking had been in culture for ~7 generations, it had not been deliberately selected for increased growth. These data thus demonstrate: (i) that growth had increased in the hatchery strain even in the absence of deliberate directional selection for this trait, (ii) that the increasing effect of admixture by temperature could represent inadvertent selection for performance in the hatchery strain at higher temperatures, and most significantly, (iii) that despite undergoing up to five generations of natural selection in the admixed wild population, the genetically increased growth potential was still detectable and thus persistent. Our findings suggest that altered growth patterns and potentially their cascading effects are of importance to the severity of hatchery/wild introgression, especially under changing-climate scenarios and are of general significance to conservation practitioners seeking to evaluate long-term effects of intra-specific hybridization including under recovery.
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  • 文章类型: Journal Article
    在应用乳清蛋白(WPs)的过程中,它们通常与糖类(Ss)有复杂的相互作用,食品基质中另一种重要的生物聚合物。含有WPs和Ss的食物的质地和感官品质在很大程度上受到WPs-Ss相互作用的影响。此外,WPs和Ss的组合可以产生许多优异的功能性质,包括乳化性质和热稳定性。然而,WPs-Ss之间的相互作用是复杂的,易受某些加工条件的影响。此外,以不同的交互方式,它们可以应用于不同的领域。因此,首先详细总结了WPs-Ss之间的非共价相互作用机制,包括静电相互作用,氢键,疏水相互作用,范德华部队.此外,介绍了WPs-Ss的存在模式,包括复杂的凝聚层,可溶性复合物,隔离,和共溶解性。WPs-Ss在食品应用中的共价相互作用通常通过美拉德反应(干或湿热反应)形成,并且偶尔通过酶诱导形成。然后,两个常见的影响因素,pH和温度,引入非共价键/共价键。最后,WPs-Ss复合物和共轭在提高WP稳定性中的应用,输送系统,和乳化进行了描述。这篇综述可以增进我们对WPs-Ss之间相互作用的理解,并进一步促进其更广泛的应用。
    During the application of Whey proteins (WPs), they often have complex interactions with saccharides (Ss), another important biopolymer in food substrate. The texture and sensory qualities of foods containing WPs and Ss are largely influenced by the interactions of WPs-Ss. Moreover, the combination of WPs and Ss is possible to produce many excellent functional properties including emulsifying properties and thermal stability. However, the interactions between WPs-Ss are complex and susceptible to some processing conditions. In addition, with different interaction ways, they can be applied in different fields. Therefore, the non-covalent interaction mechanisms between WPs-Ss are firstly summarized in detail, including electrostatic interaction, hydrogen bond, hydrophobic interaction, van der Waals force. Furthermore, the existence modes of WPs-Ss are introduced, including complex coacervates, soluble complexes, segregation, and co-solubility. The covalent interactions of WPs-Ss in food applications are often formed by Maillard reaction (dry or wet heat reaction) and occasionally through enzyme induction. Then, two common influencing factors, pH and temperature, on non-covalent/covalent bonds are introduced. Finally, the applications of WPs-Ss complexes and conjugations in improving WP stability, delivery system, and emulsification are described. This review can improve our understanding of the interactions between WPs-Ss and further promote their wider application.
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  • 文章类型: Journal Article
    风味被认为是影响食品质量的最重要因素之一。然而,它通常容易受到环境因素的影响,因此,封装对于促进适当的处理和加工是非常必要的。在这项研究中,研究了淀粉包封的结构变化及其对风味保持性的影响,使用in淀粉(RS)作为基质来包封三种风味化合物,即壬酸,1-辛醇,和2-戊基呋喃。流变学和质构结果表明,包含风味化合物改善了淀粉分子之间的分子间相互作用,导致淀粉凝胶的物理化学性质显著增加,顺序为:壬酸>1-辛醇>2-戊基呋喃。XRD结果证实了v-淀粉的成功制备。此外,用FT-IR对包合物(IC)进行了表征,SEM,和DSC技术。结果表明,v-淀粉与风味分子形成复合物。配合物的较高焓表明醇和酸的添加可以改善淀粉分子之间的分子间络合。利用HS-GC测定了三种风味化合物在淀粉中的保留率。值为51.7%,32.37%,35.62%。总的来说,这项研究提供了对提高质量和风味保留的新方法的见解,提高储存性和稳定性,减少加工和储存过程中的损失,并延长淀粉产品的保质期。
    Flavor is considered one of the most significant factors affecting food quality. However, it is often susceptible to environmental factors, so encapsulation is highly necessary to facilitate proper handling and processing. In this study, the structural changes in starch encapsulation and their effects on flavor retention were investigated using indica starch (RS) as a matrix to encapsulate three flavoring compounds, namely nonanoic acid, 1-octanol, and 2-pentylfuran. The rheological and textural results suggested that the inclusion of flavor compounds improved the intermolecular interactions between starch molecules, resulting in a significant increase in the physicochemical properties of starch gels in the order: nonanoic acid > 1-octanol > 2-pentylfuran. The XRD results confirmed the successful preparation of v-starch. Additionally, the inclusion complexes (ICs) were characterized using FT-IR, SEM, and DSC techniques. The results showed that v-starch formed complexes with Flavor molecules. The higher enthalpy of the complexes suggested that the addition of alcohols and acids could improve the intermolecular complexation between starch molecules. The retention rates of three flavor compounds in starch were determined using HS-GC, with the values of 51.7 %, 32.37 %, and 35.62 %. Overall, this study provides insights into novel approaches to enhance the quality and flavor retention, improve the storability and stability, reduce losses during processing and storage, and extend the shelf life of starchy products.
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  • 文章类型: Journal Article
    宫内铬(Cr)暴露对儿童认知发育迟缓(CDD)影响的证据有限。Further,关于改变宫内Cr暴露与CDD之间关联的遗传因素知之甚少。本研究涉及2361对母子,其中评估了母体血浆Cr浓度,构建了儿童的多基因风险评分,使用Bayley婴儿发育量表评估儿童的认知发育。采用logistic回归分析评价不同遗传背景儿童宫内Cr暴露导致CDD的风险。通过计算由于相互作用引起的相对超额风险(RERI),评估了宫内Cr暴露与遗传因素之间的累加相互作用。归因于互动的可归属比例(AP),和协同指数(SI)。根据目前的研究,较高的宫内Cr暴露与CDD风险增加显着相关[ln转化的母体血浆Cr浓度(ln-Cr)每增加一个单位:调整的OR(95%CI),1.18(1.04-1.35);最高四分位数与最低四分位数:调整后OR(95%CI),1.57(1.10-2.23)]。高遗传风险儿童宫内Cr暴露与CDD的剂量-反应关系更为突出[各单位增加ln-Cr:调整OR(95%CI),1.36(1.09-1.70)]。发现宫内Cr暴露与遗传因素之间的联合作用。具体来说,对于高遗传风险携带者,宫内Cr暴露与CDD之间的关联更为明显[最高四分位数与最低四分位数:校正OR(95%CI),2.33(1.43-3.80)]。对于宫内Cr暴露量高、遗传风险高的儿童,校正AP为0.39(95%CI,0.07-0.72).最后,宫内Cr暴露是儿童CDD的高危因素,特别是那些具有高遗传风险的人。宫内Cr暴露和自身不良遗传背景共同导致儿童CDD风险增加。
    There is limited evidence on the effects of intrauterine chromium (Cr) exposure on children\'s cognitive developmental delay (CDD). Further, little is known about the genetic factors in modifying the association between intrauterine Cr exposure and CDD. The present study involved 2361 mother-child pairs, in which maternal plasma Cr concentrations were assessed, a polygenic risk score for the child was constructed, and the child\'s cognitive development was evaluated using the Bayley Scales of Infant Development. The risks of CDD conferred by intrauterine Cr exposure in children with different genetic backgrounds were evaluated by logistic regression. The additive interaction between intrauterine Cr exposure and genetic factors was evaluated by calculating the relative excess risk due to interaction (RERI), attributable proportion due to interaction (AP), and synergy index (SI). According to present study, higher intrauterine Cr exposure was significantly associated with increased CDD risk [each unit increase in ln-transformed maternal plasma Cr concentration (ln-Cr): adjusted OR (95 % CI), 1.18 (1.04-1.35); highest vs lowest quartile: adjusted OR (95 % CI), 1.57 (1.10-2.23)]. The dose-response relationship of intrauterine Cr exposure and CDD for children with high genetic risk was more prominent [each unit increased ln-Cr: adjusted OR (95 % CI), 1.36 (1.09-1.70)]. Joint effects between intrauterine Cr exposure and genetic factors were found. Specifically, for high genetic risk carriers, the association between intrauterine Cr exposure and CDD was more evident [highest vs lowest quartile: adjusted OR (95 % CI), 2.33 (1.43-3.80)]. For those children with high intrauterine Cr exposure and high genetic risk, the adjusted AP was 0.39 (95 % CI, 0.07-0.72). Conclusively, intrauterine Cr exposure was a high-risk factor for CDD in children, particularly for those with high genetic risk. Intrauterine Cr exposure and one\'s adverse genetic background jointly contribute to an increased risk of CDD in children.
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  • 文章类型: Case Reports
    报告一例因联合使用多种药物而死亡,并讨论了药代动力学相互作用。一名三十多岁的妇女被发现死在家中。医学法律尸检未发现任何暗示受伤或自然疾病的发现。使用液相色谱串联质谱(LC-MS/MS)进行的毒理学分析确定了氟伏沙明的毒性水平(0.947µg/mL),和浓度高于治疗水平的左甲丙嗪(0.238µg/mL)和三己基苯基(0.225µg/mL),而溴西泮,氟哌啶醇,舒必利,和7-氨基氟硝西泮在或低于其治疗范围。氟伏沙明主要由细胞色素P4502D6(CYP2D6)代谢,左旋美丙嗪是一种有效的CYP2D6抑制剂。高浓度的左甲丙嗪可能会增加血液中的氟伏沙明水平。由于联合使用左甲丙嗪和氟伏沙明引起癫痫发作,它可能与导致受试者死亡有关。此外,联合使用三己基苯基可能会增强氟伏沙明过量的抗胆碱能作用,包括抽搐和昏迷.结论是受试者死亡的原因是多种药物的相互作用。
    A case of death due to combined use of multiple drugs is reported, and the pharmacokinetic interactions are discussed. A woman in her thirties was found dead in her home. A medico-legal autopsy found no findings suggestive of injury or natural disease. Toxicological analysis using liquid chromatography tandem mass spectrometry (LC-MS/MS) identified a toxic level of fluvoxamine (0.947 µg/mL), and concentrations greater than the therapeutic levels of levomepromazine (0.238 µg/mL) and trihexyphenidyl (0.225 µg/mL) were present, while bromazepam, haloperidol, sulpiride, and 7-aminoflunitrazepam were within or below their therapeutic ranges. Fluvoxamine is mainly metabolized by cytochrome P450 2D6 (CYP2D6), and levomepromazine is a potent CYP2D6 inhibitor. A high concentration of levomepromazine may increase the blood fluvoxamine level. Since the combined use of levomepromazine and fluvoxamine induces seizures, it may have been involved in causing the subject\'s death. In addition, combined use of trihexyphenidyl may potentiate anticholinergic effects of fluvoxamine overdose, including convulsions and coma. It was concluded that the cause of the subject\'s death was the interaction of multiple drugs.
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