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Structure and Bonding in the Complex of Zinc with 4,4’-Diacetylcurcumin 锌与4,4′-二乙酰姜黄素配合物的结构与键合
Pub Date : 2023-02-16 DOI: 10.25073/2588-1140/vnunst.5351
Nguyen Huu Tho
Revised 28 March 2022; Accepted 14 July 2022 Abstract: The structure and bonding situation in the complex of zinc with 4,4’-diacetylcurcumin and methanol ligands, [Zn(L)2(CH3OH)2], were examined by DFT calculations with the levels of TPSSH/def2-SVP and TPSSH/def2-TZVP in gas phase and methanol solvation. For each phase, four isomers with octahedral geometrical structures were found. The complexes were stabilized by Zn-O metal-ligand bondings and the support of hydrogen bondings. The bonding characters were analyzed in detail by the QTAIM and NBO theories. The study contributes to a deeper understanding of the structure and electron properties of the [Zn(L)2(CH3OH)2] complex that was experimentally synthesized and predicted to have significant antiproliferative activities for the human MCF-7 breast and HepG2 liver cancer cells.
2022年3月28日修订;摘要:利用TPSSH/def2-SVP和TPSSH/def2-TZVP在气相和甲醇溶剂中的水平,通过DFT计算考察了锌- 4,4 ' -二乙酰姜黄素-甲醇配合物[Zn(L)2(CH3OH)2]的结构和成键情况。对于每个相,发现了四个具有八面体几何结构的同分异构体。配合物通过Zn-O金属配体键和氢键的支持来稳定。用QTAIM和NBO理论对其成键特性进行了详细分析。该研究有助于深入了解实验合成的[Zn(L)2(CH3OH)2]复合物的结构和电子性质,并预测该复合物对人MCF-7乳腺癌和HepG2肝癌细胞具有显著的抗增殖活性。
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引用次数: 0
Cloning and Expression of 3 Chymotrypsin-like Protease of SARS-CoV-2 in E. coli using pET28a Vector 利用pET28a载体克隆和表达SARS-CoV-2 3个凝乳胰蛋白酶样蛋白酶
Pub Date : 2023-02-16 DOI: 10.25073/2588-1140/vnunst.5509
Vu Thi Duy Ly, T. T. Giang, Ngo Thu Trang, Dinh Nho Thai, Phan Tuấn Nghĩa, Nguyen Thi Hong Loan
The 3 chymotrypsin-like protease (3CLpro) of the severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2) is one of the primary targets for the development of antiviral drug therapies as it plays a critical role in viral replication. In this study, the gene encoding for SARS-CoV-2 3CLpro (918 bp) was amplified from the cDNA of the virus by polymerase chain reaction (PCR) and cloned into the pGEM-T vector. 3CLpro was then inserted into the expression vector pET28a at the end of the 6 histidine residue encoding sequence to form a fusion protein (6xHis-3CLpro). The 6xHis-3Clpro construct was successfully expressed in E. coli. The expression of 3CLpro was highest when E. coli BL21(DE3) RIL harboring pET28a-3CLpro vector was cultured in LB medium at 20 oC, induced by 1.0 mM Isopropyl thiogalactopyranosie (IPTG)  when cell density measured by optical density at 600 nm (OD600)  reached 0.7-0.8 and harvested after 24 hours of induction. The recombinant 3CLpro was purified by Ni-sepharose affinity chromatography under denaturation conditions. The purified 3CLpro showed to have a 41 kDa band on sodium dodesyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and Western blotting using polyclonal anti-3CLpro antibody and hydrolyzed a fluorescent specific substrate of 3CLpro after renaturation.
严重急性呼吸综合征冠状病毒2型(SARS-CoV-2)的3糜凝胰蛋白酶样蛋白酶(3CLpro)在病毒复制中起着关键作用,是开发抗病毒药物治疗的主要靶点之一。本研究利用聚合酶链反应(PCR)从SARS-CoV-2 cDNA中扩增出编码SARS-CoV-2 3CLpro的基因(918 bp),并将其克隆到pGEM-T载体中。然后将3CLpro插入到6组氨酸残基编码序列末端的表达载体pET28a中,形成融合蛋白(6xHis-3CLpro)。6xHis-3Clpro构建体在大肠杆菌中成功表达。携带pET28a-3CLpro载体的大肠杆菌BL21(DE3) RIL在LB培养基中培养20℃,用1.0 mM异丙基硫代半乳糖酶(IPTG)诱导,600 nm光密度(OD600)测得细胞密度达到0.7 ~ 0.8,诱导24小时后收获3CLpro表达量最高。在变性条件下,用Ni-sepharose亲和层析纯化重组3CLpro。纯化后的3CLpro经十二烷基硫酸钠-聚丙烯酰胺凝胶电泳(SDS-PAGE)和多克隆抗3CLpro抗体的Western blotting检测显示具有41 kDa的条带,并在还原后水解出3CLpro的荧光特异性底物。
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引用次数: 1
Creation of Standard DNA for Detection and Quantification of White Spot Syndrome Virus in Shrimps by Real-time PCR (qPCR) 实时荧光定量PCR (qPCR)检测和定量对虾白斑综合征病毒标准DNA的建立
Pub Date : 2022-12-19 DOI: 10.25073/2588-1140/vnunst.5508
T. Cuong, Phan Tuấn Nghĩa, Nguyen Thi Hong Loan
White spot syndrome virus (WSSV) is a double stranded DNA virus that causes WSS diseases for many crustaceans including the Penaeidae family shrimp. In this study, standard DNA for detection and quantification of WSSV by real-time polymerase chain reaction (qPCR) method was created. A specific gene fragment of 126 bp from WSSV genome was successfully amplified by PCR and cloned into pGEM-T vector. qPCR calibration curves using the created recombinant pGEM vector harboring 126 bp gene fragment as the standard DNA at concentrations of 3x102 to 3x108 copies/mL showed to have good linear regression with an efficiency of 99.1%, correlation coefficient R2 of 0.998 and the slope of -3.344. The recombinant vector was also used as a positive standard for detection and quantification of WSSV in a number of WSSV-infected shrimp samples and the values ranging from 3.69x103 copies/mL to 1.25x108 copies/mL WSSV were found in the collected samples.
白斑综合征病毒(WSSV)是一种双链DNA病毒,可引起包括对虾科虾在内的许多甲壳类动物的白斑综合征疾病。本研究构建了实时荧光定量pcr (real-time polymerase chain reaction, qPCR)检测和定量WSSV的标准DNA。从WSSV基因组中成功扩增出126 bp的特异基因片段,并将其克隆到pGEM-T载体中。在3x102 ~ 3x108 copies/mL浓度下,以含126 bp基因片段的重组pGEM载体为标准DNA, qPCR校准曲线线性回归效果良好,效率为99.1%,相关系数R2为0.998,斜率为-3.344。将重组载体作为阳性标准物,在多份感染WSSV的对虾样本中进行WSSV的检测和定量,所收集的样本中WSSV的检测值在3.69 × 103 copies/mL ~ 1.25 × 108 copies/mL之间。
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引用次数: 0
Decolorization of Dye Wastewater by Activated Carbons Produced from Peanut Shell using ZnCl2 Impregnation Method 花生壳活性炭氯化锌浸渍法对染料废水的脱色研究
Pub Date : 2022-12-19 DOI: 10.25073/2588-1140/vnunst.5228
N. Quan, Nguyen Minh Hanh, L. Oanh
This study assessed the adsorption capacity of different activated carbons produced from peanut shell for S3B dye (Sunfix Red 150%) present in dye wastewater under different contact conditions. The pre-impregnation of input material by ZnCl2 (weight ratio 1:1) increased surface charge of produced activated carbon to positive value; While activated carbons produced from non-impregnation and post-impregnation procedures had negative charge. The optimal adsorption conditions were at pH 5 with 10 g/L activated carbon in original dye wastewater ,  for 180 minute contacting time. Under the optimal conditions, pre-impregnated activated carbon had highest adsorption capacity, corresponding to80.2% S3B dye removal; while the two other types of activated carbons obtainedabout 40% dye removal. The adsorption process suited to Freundlich isotherm model (multilayer adsorption) with KF adsorption constants being 0.0377, 0.3314 and 0.0523 for non-, pre- and post-impregnated activated carbons, respectively.
考察了花生壳活性炭在不同接触条件下对染料废水中S3B染料(Sunfix Red 150%)的吸附能力。以ZnCl2(质量比为1:1)预浸渍原料,使所产活性炭的表面电荷增加到正电荷;而未浸渍和浸渍后的活性炭则带负电荷。最佳吸附条件为:pH为5,活性炭浓度为10 g/L,接触时间为180 min。在最佳条件下,预浸渍活性炭的吸附量最高,对S3B染料的去除率为80.2%;而其他两种活性炭的去除率约为40%。吸附过程符合Freundlich等温模型(多层吸附),未浸渍活性炭、浸渍前活性炭和浸渍后活性炭的KF吸附常数分别为0.0377、0.3314和0.0523。
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引用次数: 0
Analysis of Triacylglyceride and Conjugated Fatty Acid Compositions in Seed Oils of some Plants of Cucurbitaceae Family in Vietnam 越南部分葫芦科植物种子油中甘油三酯和共轭脂肪酸组成分析
Pub Date : 2022-12-16 DOI: 10.25073/2588-1140/vnunst.5361
N. Anh, V. Anh
Conjugated fatty acids were known as potential sources for the pharmaceutical industry with beneficial bioactivities, including anti-cancer effects, anti-diabetes, anti-obesity, and anti-inflammatory properties. In the present work, characteristics of triglycerides and fatty acids of the seed oils of five plants (Momordica Cochinchinensis (Lour.) Spreng, MomordicaMomordica charantia, Thladiantha nudiflora Hemsl, and Trichosanthes cucumerina var. anguina) in Vietnam were analyzed by UV and FTIR spectroscopy, and reversed phase high performance liquid chromatography. Triacylglycerides compositions of the  seed oils were determined using RP-HPLC with DAD detector connected with MS detector in series. The seed oils of M. Cochinchinensis, M. subangulata, and M. charantia are rich sources of conjugated octadecatrienoic acid with α-eleostearic acid (C18:39E,11E,13Z) as the base acid and β-eleostearic as the minor conjugated acid. In the seed of Thladiantha nudiflora (both α-eleostearic and punic acid (C18:39Z,11E,13Z)  were synthesized with approximately equal proportions. In T. cucumerina var. anguina seed oil, punicic acid was synthesized as the main conjugated fatty acid. In addition, some oil parameters, such as oil yield and refractive index of these seed oils, were determined.
共轭脂肪酸被认为是制药工业的潜在来源,具有有益的生物活性,包括抗癌作用,抗糖尿病,抗肥胖和抗炎特性。本文对五种植物(Momordica Cochinchinensis, Lour.)种子油的甘油三酯和脂肪酸的特性进行了研究。采用紫外光谱、傅里叶红外光谱和反相高效液相色谱技术对越南产的春、苦瓜(MomordicaMomordica charantia)、海苔(Thladiantha nudiflora Hemsl)和瓜蒌(trichosans cucumerina var. anguina)进行了分析。采用DAD检测器与MS检测器串联的反相高效液相色谱法测定种子油中甘油三酯的组成。以α-骨脂酸(C18:39E,11E,13Z)为底酸,以β-骨脂酸为次共轭酸为共轭十八碳三烯酸的丰富来源。在南洋蓟种子中,α-骨酸和癸酸(C18:39Z,11E,13Z)的合成比例大致相等。以黄瓜籽油为原料,合成了以石榴酸为主要共轭脂肪酸的化合物。此外,还测定了这些种子油的出油率和折射率等油参数。
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引用次数: 0
Lithocarpus pacoensis (Fagaceae) a new species from Hoa Binh Province, Vietnam 文章标题越南和平省石栎属(壳斗科)一新种
Pub Date : 2022-12-08 DOI: 10.25073/2588-1140/vnunst.5459
Ngoc Nguyen Van, S. T. Hoang, Binh Thi Hoang
Lithocarpus pacoensis Ngoc & Son from Hoa Binh province, Northern Vietnam, is described here and illustrated. The new species is most similar to Lithocarpus komtumensis A.Camus and Lithocarpus laoticus (Hickel & A.Camus) A.Camus in having long petioles; big cupules, usually clustered in sets of three, flat apical, nearly completely enclosing the nut; nut subglobose apex rounded or flat; scar covering 2/3 to most of the nut, convex. But the new species significantly differs from L. kontumensis and L. laoticus in having bigger leaf blades, longer petiole, much bigger cupule and nut, much more number of secondary veins, and shorter infructescences. The morphological description, comparison with related species, photographs, and preliminary conservation status descriptions are also provided.  
来自越南北部和平省的pacoensis Ngoc & Son在这里进行了描述和说明。新种与Lithocarpus komtumensis A.Camus和Lithocarpus laoticus (Hickel & A.Camus) A.Camus最相似的特征是具有长叶柄;大的圆锥花序,通常簇生在一组三,平的顶部,几乎完全包围坚果;坚果近球形先端圆形或平;疤痕覆盖螺母的2/3至大部分,凸。但新种的叶片较大,叶柄较长,叶柄和果仁较大,次生脉数目较多,果序较短,与kontumensis和laoticus有显著差异。并提供了形态描述、与近缘种的比较、照片和初步的保护状况描述。
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引用次数: 1
Effects of Led Light Intensity and Carbon Dioxide Concentration on the Growth of Spinach (Spinacia oleracea L.) in a Plant Factory 植物工厂中Led光强和二氧化碳浓度对菠菜生长的影响
Pub Date : 2022-12-08 DOI: 10.25073/2588-1140/vnunst.5511
Phạm Châu Thùy, Nguyen Le Khanh, Nguyen Nhu Duy
This research aimed to investigate the effects of light intensity and the carbon dioxide (CO2) concentration on spinach’s growth during vegetative stage in plant factory (PF). Two experiments were conducted with different CO2 concentration in closed chamber (500 ppm and 800 ppm). In each experiment, plants were hydroponically grown under three light intensities of 115, 140 and 160 µmol.m-2s-1. Growth’s parameters were determined at different growth stages (T30, T37 and T44 respectively to 30, 37 and 44 days after sowing). ANOVA analysis and non-parametric Kruskal analysis of variance were used to evaluate the statistical significance of the treatment effects. The results showed that, before 30 days old, the increase of light intensity was not significantly effected to the growth of plant. During later growing periods (30 days old afterward), the increase of light intensity remarkably boost up yield’s related traits such as leaf number, fresh mass and dry mass under 500ppm CO2 concentration. The combination of light intensity and CO2concentration at 800ppm showed the plant growth indicators increased significantly at the T37 and T44 stages (after 30 days old), especially at the last week of growth period, fresh weight and dry weight of plants were significantly different at the light treatment L2, increased 37% and 57.6%, respectively as compared to light treament only. The results suggested that, during latest growing period, the average light intensity of 140 µmol.m-2s-1combining with elevating CO2 concentration is an alternatively way to enhance spinach growth. The findings of this study could be helpful for growers to improve growing conditions for a better development of spinach in the indoor farming (PF)
本研究旨在探讨光照强度和CO2浓度对植物工厂营养期菠菜生长的影响。在不同CO2浓度(500 ppm和800 ppm)的密闭室内进行了两项实验。在每个试验中,植物在115、140和160µmol.m-2s-1三种光强下水培。测定不同生育期(播种后T30、T37和T44 ~播种后30、37和44 d)的生长参数。采用方差分析和非参数Kruskal方差分析评价治疗效果的统计学显著性。结果表明,30 d以前,光照强度的增加对植株生长影响不显著。在生长后期(30 d以后),500ppm CO2浓度下,光强的增加显著提高了产量相关性状,如叶片数、鲜质量和干质量。光强和co2浓度800ppm组合处理表明,植株生长指标在T37和T44期(30 d后)显著提高,特别是在生育期最后一周,光处理L2的植株鲜重和干重差异显著,分别比光处理提高37%和57.6%。结果表明,在生长后期,平均光照强度为140µmol。m-2s-1结合提高二氧化碳浓度是促进菠菜生长的另一种方法。本研究结果可为室内种植菠菜的栽培者改善生长条件提供参考。
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引用次数: 0
Chemical Constituents of Caesalpinia bonduc 山葵属植物的化学成分
Pub Date : 2022-12-08 DOI: 10.25073/2588-1140/vnunst.5500
Le Thi Huyen, Nguyen Thi Thu Hau
This phytochemical investigation of Caesalpinia bonduc reported eight known compounds, namely threo-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-methoxy-propanol (1), evofolin-B (2), trans-Linalool-3,6-oxide-β-D-glucopyranoside (3), 1-(2-methylbutyryl)phloroglucinol-glucopyranoside (4), 1-(3 methylbutyryl)phloroglucinol-glucopyranoside (5), (+)-isolariciresinol (6), protocatechuic acid (7), methyl gallate (8). The structures of these compounds were identified by 1D- and 2D- nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) and by comparison with those reported in the literature. Compound 2 exhibited significant cytotoxic effects against the HepG2 cell line with an IC50 value of 48.37±3.18 µM.
本植物化学研究报告了八种已知化合物,分别为:三-2,3-二(4-羟基-3-甲氧基苯基)-3-甲氧基丙醇(1)、进化酚-b(2)、反式亚胺醇-3,6-氧化物-β- d -葡萄糖吡喃苷(3)、1-(2-甲基丁基)间苯三酚-葡萄糖吡喃苷(4)、1-(3 -甲基丁基)间苯三酚-葡萄糖吡喃苷(5)、(+)-异构体树脂醇(6)、原儿茶酸(7)、没有食子酸甲酯(8)。这些化合物的结构通过1D和2D核磁共振(NMR)光谱和质谱(MS)鉴定,并与文献报道的结构进行了比较。化合物2对HepG2细胞株具有明显的细胞毒作用,IC50值为48.37±3.18µM。
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引用次数: 0
Synthesis of Green Chitosan – Silver Nanoparticle Composite Material: Parameter Optimization and Physicochemical Characterization 绿色壳聚糖-纳米银复合材料的合成:参数优化及理化表征
Pub Date : 2022-12-03 DOI: 10.25073/2588-1140/vnunst.5363
T. Y, D. Thien, T. Cong, Tran Thi Nu, Lai Thi Bich Thuy, Nguyễn Thị Thúc, Le Quang Tuan, Nguyen Dang Dat, K. Hileuskaya, J. Kalatskaja, V. Kulikouskaya
In this study, response surface methodology (RSM) was carried out with four parameters: chitosan concentration, AgNO3 concentration, ascorbic acid concentration and time with the objective to obtain minimum mean particle size of silver nanoparticles (response Y). The chitosan-silver nanoparticle composite material (CTS-AgNPs nanocomposite) obtained experimentally from the optimal conditions was characterized by evaluating some of their physical-chemical properties using combined technique including visible ultraviolet spectroscopy (UV -Vis), dynamic light scattering (DLS), transmission electron microscopy (TEM), infrared spectra (IR) and X-ray diffraction. The optimal conditions were chitosan concentration of 19.2 %, silver nitrate of 26 mM, ascorbic concentration of 33 mM and time of 4.25 hours. Spherical Ag particles obtained experimentally were well dispersed in chitosan matrix with the average diameter of around 2÷8 nm with a narrow size distribution and homogeneous dispersion
在本研究中,响应面法(RSM)采用四个参数:利用可见紫外光谱(UV -Vis)、动态光散射(DLS)、动态光散射(DLS)等综合技术对实验得到的壳聚糖-银纳米颗粒复合材料(CTS-AgNPs纳米复合材料)的理化性质进行了表征。透射电子显微镜(TEM),红外光谱(IR)和x射线衍射。壳聚糖浓度为19.2%,硝酸银浓度为26 mM,抗坏血药浓度为33 mM,时间为4.25 h。实验得到的球形银颗粒在壳聚糖基体中分散良好,平均粒径在2÷8 nm左右,粒径分布窄,分散均匀
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引用次数: 0
Analysis of DNA Markers from Vietnamese Asarum L. Species 越南细辛属植物DNA标记分析
Pub Date : 2022-12-01 DOI: 10.25073/2588-1140/vnunst.5499
H. Hue, L. Kỳ, N. Hoang
The Asarum L. genus includes 128 species with a lot of medicinal effects and has been used extensively in the folk prescriptions for treatment of several diseases such as bronchitis, asthma, rheumatism, and hepatitis. In the world, many researches showed that the Asarum L. species have many kinds of the essential oils such as myristicin, methyl eugenol, myrcene, asafrol, borneol, safrol or α-pinene and substances as secquiterpenes, sterols, naringenin or glycosyl flavonoids. Some reports in Vietnam have been conducted on analyzing secondary compounds of these species. However, it has done a little research on classification of these species through molecular markers. Indeed, the DNA barcoding will help overcome difficulties in recognizing many plants which were endangered species or it is rare materials with high value in medicine. In the study, four DNA barcoding regions - ITS1, ITS2, matK and rpoC were analyzed from some Asarum species that are three species of A. splendens, A. yentuense and A. petelotii. The four barcodes were well amplified by PCR and sequenced by Sanger principal. After that, analyzing sequences showed ITS1, ITS2 had the highest polymorphism, in addition, the markers and matK marker were absolutely suitable for distinguishing the Asarum L. species. The above results are of great significance for the application of the barcodes in the identification of Asarum species, in order to correctly use the medicinal plant sources.
细辛属共有128种,具有丰富的药用价值,被广泛用于治疗支气管炎、哮喘、风湿病、肝炎等多种疾病。在国际上,许多研究表明细辛属植物含有多种精油,如肉豆蔻素、甲基丁香酚、月桂烯、细辛醇、冰片、细辛醇或α-蒎烯等,并含有次半萜、甾醇、柚皮素或糖基黄酮类物质。越南对这些植物的次生化合物进行了分析。然而,利用分子标记对这些物种进行分类的研究很少。事实上,DNA条形码将有助于克服识别许多濒临灭绝的植物或具有很高药用价值的稀有材料的困难。本研究对部分细辛属植物(A. splendens, A. yentuense, A. petelotii)的ITS1、ITS2、matK和rpoC 4个DNA条形码区进行了分析。4个条形码经PCR扩增,Sanger principal测序。序列分析表明,ITS1、ITS2多态性最高,标记和matK标记完全适合于细辛的种间区分。以上结果对于条形码技术在细辛种类鉴定中的应用,以正确利用药用植物源具有重要意义。
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引用次数: 2
期刊
VNU Journal of Science: Natural Sciences and Technology
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