bluuebunny/crossref_metadata_2025 huggingface dataset:
Five phenolic compounds from Marchantia polymorpha L. and their in vitro antibacterial, antioxidant and cytotoxic activities
Authors: Son Nguyen Cong Thai , Tan Tran Quoc , Lien Do Thi My , Huong Nguyen Thi My , Tuyen Pham Nguyen Kim , Phung Nguyen Kim Phi , Phuong Quach Ngo Diem , Thu Nguyen Thi Hoai
Published: March 2024

Lunularin (1), marchantin A (2), isoriccardin C (3), luteolin (4) and apigenin (5) were isolated from the ethyl acetate extract of Marchantia polymorpha collected at Lam Dong province, Vietnam. The chemical structures of these compounds were elucidated by HR‐MS and NMR spectroscopic analysis as well as compared with data in the literature. The evaluation of the cytotoxic activity against MCF‐7, Hep G2, NCI‐H460, and HeLa cancer cell lines of the ethyl acetate extract and compounds (1) and (3) showed that (1) was potent against MCF‐7 cancer cell with the IC50 value of 4.59±0.38 μg/mL. The evaluation of DPPH radical scavenging activity displayed strong activities of the ethyl acetate extract, compounds (1) and (3) with SC50 of 12.75±13.27, 3.99±0.47 and 12.81±0.43 μg/mL, respectively, while SC50 of the positive control Trolox was 7.34±0.87 μg/mL. The antibacterial evaluation on the ethyl acetate extract and two compounds (2) and (3) against Staphylococcus epidermidis showed that (3) possessed remarkably antibacterial activity with the inhibition zone of 12.67 mm at a concentration of 50 μg/well.
Synthesis, characterization and biological activity of mixed ligand chelates of Ni(II) with pyridoxalthiosemicarbazone and dipeptides
Authors: Saritha A , Reddy Ch Venkata Ramana , Sireesha B
Published: March 2024

The synthesis, characterization of mixed ligand chelates of Ni(II), [NiAL] involving Pyridoxalthiosemicarbazone (A) and dipeptides (L) viz., glycyl‐glycine (gly‐gly), glycyl‐L‐leucine (gly‐leu), glycyl‐L‐tyrosine (gly‐tyr) and glycyl‐L‐valine (gly‐val) and their biological activities have been studied. The complexes were characterized based on their elemental analysis, LC‐MS, IR, UV‐Vis spectral studies, magnetic moment, molar conductance and thermal analysis. The mixed ligand complexes were formed with 1:1:1 (Ni:A:L) ratio. The molar conductance data reveal the non‐electrolytic nature of the metal chelates. IR spectra show that the ligands are coordinated to the metal ion in a tridentate manner, involving O,N,S and O,N,N donor sites of ligands, A and L respectively. Based on the analytical data, octahedral geometry has been proposed for the metal complexes. DNA binding properties of the complexes have been investigated by UV‐Vis and fluorescence spectroscopy and also by viscosity measurements. The obtained results indicate that the complexes bind to DNA through intercalation mode, which is further validated by molecular docking studies. The hydrolytic cleavage of the pBR322 DNA from supercoiled to nicked form, by the metal complexes was investigated by gel electrophoresis technique. The metal complexes were also screened for their antioxidant, anti‐inflammatory and antibacterial activities and the findings have been reported.
Adsorption of Ag+ ions using hydroxyapatite powder and recovery silver by electrodeposition
Authors: Nam Pham Thi , Thanh Dinh Thi Mai , Phuong Nguyen Thu , Trang Nguyen Thi Thu , Hong Cao Thi , Anh Vo Thi Kieu , Lam Tran Dai , Thom Nguyen Thi
Published: March 2024

Nowadays, waste of electrical and electronic apparatuses generated in huge amount surround the earth and has become a global environmental issue. Electronic waste contains large amounts of metal ions, such as Au, Ag, Cu, Pd, Pb and Cd etc., resulting in a threat to the environment, ecosystems and human health. Therefore, removal of metal ions and recovery of precious metals are extremely necessary. Hydroxyapatite material was reported that they can remove heavy metal ions in water with high efficiency. In this work, Ag+ ions in water were adsorbed using hydroxyapatite (HAp) powder and recovery silver by electrodeposition. The adsorption efficiency of silver was about 61 % at 50 oC after 60 minutes of contact time. The Ag+ adsorption process using HAp powder followed Langmuir adsorption isotherms with the maximum monolayer adsorption capacity of 18.7 mg/g. 60 % of silver can recovery by electrodeposition after 4 hours at the apply current of 10 mA at 50 °C.
Occurrence of perfluorinated chemicals (PFCs) in leachate, surface water and sediment collected from Tay Mo landfill and surrounding areas
Authors: Ngoc Nguyen Thuy , Vi Phung Thi , Viet Pham Hung , Anh Duong Hong
Published: March 2024

The municipal landfill is considered to be a potential source of different environmental contaminants derived from consumer goods, including perfluorinated chemicals (PFCs). Twenty‐four leachate, surface water samples and twenty‐four sediment samples collected at Tay Mo landfill (Hanoi, Vietnam) and surrounding areas were analysed for sixteen PFCs. Total concentrations of PFCs in leachate and surface water ranged from 103 to 328 ng/L (mean: 161 ng/L) at Tay Mo landfill, 19.1‐22.4 ng/L (mean: 20.7 ng/L) in ponds nearby the landfill, 5.19‐6.96 ng/L (mean: 5.96 ng/L) in Nhue River around the landfill, 5.57‐12.7 ng/L (mean: 9.00 ng/L) in the upstream and 3.81‐11.5 ng/L (mean: 7.14 ng/L) in the downstream. The total concentrations of PFCs in landfill sediment which ranged from 3.52 to 6.70 ng/g (mean: 5 ng/g) was 3‐4 times higher than those in sediment taken from Nhue River and the ponds around the landfill. The dominating detected compounds were short‐chain perfluorinated alkyl substances like PFOA, PFHxA, PFHpA in water, and PFOS, PFBS in sediment.
A theoretical study on inhibitability of silver(I) N‐heterocyclic carbene and dimer silver(I) N‐heterocyclic carbene complexes against Phytophthora capsici and Fusarium sporotrichioides in Piper nigrum L.
Authors: Quy Phan Tu , Hai Nguyen Thi Thanh , My Tran Thi Ai , Bui Thanh Q. , Hoa Tran Thai , Phu Nguyen Vinh , Loan Huynh Thi Phuong , Nhung Nguyen Thi Ai
Published: March 2024

Piper nigrum L. (black pepper) is highly susceptible to many infectious diseases, especially foot rot caused by Phytophthora capsici and yellow disease caused by Fusarium sporotrichioides. The inhibitability of silver‐carbene Ag‐NHC and di‐silver‐carbene Di‐Ag‐NHC complexes on protein 6KD3 in Phytophthora capsici and protein 1JFA in Fusarium sporotrichioides was theoretically investigated using molecular docking simulation. The results reveal that both Ag‐NHC and Di‐Ag‐NHC performing strong inhibitory effects towards both proteins. Docking score energy values regarding [Ag‐NHC]‐6KD3 and [Di‐Ag‐NHC]‐6KD3 are ‐11.2 and ‐11.7 kcal.mol‐1. The corresponding figures for [Ag‐NHC]‐1JFA and [Di‐Ag‐NHC]‐1JFA are ‐11.1 and ‐13.4 kcal.mol‐1. Also, analysis on hydrogen bonding, interaction distance, and van der Waals interactions formed in the inhibitory systems indicates good site‐site binding between amino acids of the targeted proteins and the carbene molecules. This study introduces Ag‐NHC and Di‐Ag‐NHC complexes as potential candidates for prevention of infection caused by Phytophthora capsici and Fusarium sporotrichioides, thus mitigate the impacts on the production of black pepper.
Molecular docking prediction of carvone and trans‐geraniol inhibitability towards SARS‐CoV‐2
Authors: Quy Phan Tu , My Tran Thi Ai , Bui Thanh Q. , Loan Huynh Thi Phuong , Van Anh Tran Thi , Triet Nguyen Thanh , Quang Duong Tuan , Nhung Nguyen Thi Ai
Published: March 2024

Carvone and geraniol, well‐known by their biological activity, could be promising natural inhibitors for angiotensin‐converting enzyme 2 (UniProtKB‐Q9BYF1), SARS‐CoV‐2 main protease (PDB‐6LU7), and SARS‐CoV‐2 spike glycoprotein (PDB‐6VSB). Quantum properties of R‐(‐)‐carvone (CA1), S‐(+)‐carvone (CA2), and trans‐geraniol (GE) were examined using density functional theory (DFT). Their inhibitability towards the targeted proteins was evaluated using molecular docking simulation. Lipinski's criteria were utilised to preliminarily screen drug‐likeness of the potential inhibitors. Quantum analysis suggests that the compounds are highly favourable for intermolecular interaction towards protein structures. The overall inhibitability of the ligands follows the order GE > CA2 > CA1. Their biologically rigid conformation is given by RMSD registering under 2 Å in any systems. The expected inhibition is explainable by topographical complementarity between the inhibitory aducts. All the candidates are predicted compatible with pharmaceutical applications in physiological environments. Their high polarisability is also conducive to inhibitory activity towards highly polarised protein‐structures. The study proposes carvone and geraniol to be promising for natural medication‐assisted agents supporting treatment against infection caused by SARS‐CoV‐2.
Effective adsorptive removal of anionic dyes from aqueous solution
Authors: El‐Desouky M. G. , El‐Bindary M. A. , El‐Bindary A. A.
Published: March 2024

Congo Red (CR) and Reactive Black 5 (RB5) anionic dyes were removed from aqueous solution using Porous Magnetite Fe3O4 nanospheres (PMNs) as a high‐performance adsorbent. Various methods, such as Fourier transform infrared spectroscopy and X‐ray diffraction, were used to classify the synthesized PMNs. The Brunauer Emmett‐Teller (BET) method was used to calculate the sample's high specific surface area of 143.65 m2.g‐1, as well as its pore volume and pore size. The PMNs have a very uniform spherical morphology, with an average particle size of 25.84 nm, as revealed by transmission electron microscopy (TEM) and scanning electron microscopy (SEM) image analysis. Variables such as initial pH, adsorbent dosage, contact time, and temperature were investigated to determine optimal adsorption conditions for the extraction of Congo Red (CR) and Reactive Black 5 (RB5) from aqueous solutions. The optimal pH for extracting the anionic dyes tested from water solutions was 3 and 4 for CR and RB5, respectively. The maximum adsorption potential of the CR and RB5 dyes, respectively, was 1621.59 and 1070 mg.g‐1. pH, temperature, initial concentration, contact time, salinity, and PMNs dosing were all studied in depth. Since the PMNs Zero‐charge point (pHPZC) equals 4.3, these dyes were ideal for adsorption at an acid pH. The Langmuir, Freundlich, Dubinin ‐ Radushkevich, and Temkin adsorption isotherms were used to determine adsorption results. For both dyes, the adsorption isotherm was fitted to the Langmuir model. The mean adsorption energy (Ea) for CR and RB5, respectively, is 20.2 and 24.8 kJ.mol‐1, suggesting a chemisorption mechanism. The kinetics of adsorption was discovered to adopt a pseudo‐second‐order kinetic model. Thermodynamic experiments confirmed that the adsorption mechanism is endothermic and spontaneous. They experimented with ethanol as a solvent for desorption of adsorbed anionic dyes.
Sesquiterpenoids from the barks and roots of Michelia alba collected in Xuan Mai town, Hanoi City, Viet Nam
Authors: Hoai Ly Thi Thu , Anh Nguyen The , Luu Nguyen Thi , Van Hieu Ngo , Ninh Pham Thi , Van Loc Tran , Chi Nguyen Linh , Nam Nguyen Xuan , Thao Tran Thi Phuong
Published: March 2024

Eight sesquiterpenoids including costunolide (1), parthenolide (2), 11α,13‐dihydroparthenolide (3), 9β‐hydroxy‐dihydroparthenolide (4), (‐)‐bisparthenolidine (5), 11α,13‐dihydro‐β‐cyclocostunolide (6), α‐cadinol (7), magnograndiolide (8) were isolated from the barks and roots of Michelia alba. The structures of these compounds were elucidated by spectroscopic methods (MS, 1D and 2D NMR) and comparison with the reported data. Compounds 5‐8 have been isolated for the first time from Michelia alba.
A new phenolic compound from the lichen Parmotrema praesorediosum (Nyl.) Hale
Authors: Chi Huynh Bui Linh , Van Muoi Bui , Thu Nguyen Thi Hoai , Phung Nguyen Kim Phi
Published: March 2024

Chemical investigation of the lichen Parmotrema praesorediosum (Nyl.) Hale led to isolate six phenolic compounds including praesorediosic (1), orcinol (2), orselinic acid (3), lecanorin (4), isolecanoric acid (5) and virensic acid (6). Among them, compound 1 appeared to be found for the first time in the nature. The structure of these compounds was elucidated by spectroscopic analyses of HRESIMS and NMR as well as the comparison of their NMR data with those in the literature. These compounds were evaluated for their cytotoxicity using sulforhodamine‐B assay against HeLa (human epithelial carcinoma), NCI‐H460 (human lung cancer), HepG2 (liver hepatocellular carcinoma) and MCF‐7 (human breast cancer) cell lines.
Investigation on gasification of coffee husk inCO2,H2O, and mixed atmospheres
Authors: Nam Nguyen Hong , Ngoc Cao Thi Anh , Van Bay Tran
Published: March 2024

Coffee husk, a residue from coffee production, could become a potential feedstock for gasification if a comprehensive engineering profile of this feedstock is well established. This study focused on investigating the coffee husk characteristics and its behaviors during pyrolysis and gasification. The proximate analysis results showed that coffee husk had a high volatile matter of 69.8 %. However, the high ash content (9.2 %) should be considered due to its negative contribution to the system. The higher heating value (HHV) of coffee husk was 18.3 MJkg‐1, comparable with woody biomass. The TGA‐ DTG results showed that the degradation of coffee husk began at 245oC and achieved the maximum weight loss rate (Rmax= 0.4 %oC‐1) at 310oC. Coffee husk char gasification under 20 % H2O (in N2) was about 2 times faster than under 20 % CO2(in N2), quite similar to wood gasification. In particular, an inhibitory effect between CO2and H2O on reactivity during gasification in the mixed atmosphere was observed. Database and results from this study would provide useful information for the design or modeling of an efficient coffee husk gasifier.
Investigation on gasification of agricultural wastes: the case of macadamia husk
Authors: Linh Vu Ngoc , Van Dong Nguyen , Nam Nguyen Hong
Published: March 2024

Macadamia husk, an overlooked residue of macadamia production, could become a promising feedstock for gasification with the help of extensive engineering knowledge. This study aimed at establishing a comprehensive database of the macadamia husk's characteristics as well as its behaviors during the whole gasification process. The results showed a high heating value of macadamia husk (17.47 MJ/kg) along with its low ash content (3.42 wt%), which is very suitable for thermo‐conversion processes. However, with a relatively high moisture content (15.72 wt%), macadamia husk might require additional pre‐treatment such as drying. The thermal decomposition of macadamia husk, determined through the TGA‐DTG technique, began at 220 °C and reached a maximum mass reduction rate (Rmax= 0.41 %/°C) at 295 °C. The gasification conversion rate was conducted under three distinctive atmospheres: carbon dioxide gasification (20 % CO2in N2), steam gasification (20 % H2O in N2), and their mixed atmosphere were finished after 560, 495, and 395 s, respectively. The resulting database of this study would be of great use for the design, modeling as well as optimization of a macadamia husk gasifier.
Characteristics of porous spherical LaFeO3 as ammonia gas sensing material
Authors: Nga Phan Thi To , My Dinh Thi Tra , Duc Nguyen Minh , Kien Pham Trung , Nhan Phan Chi , Tu Nguyen Cong , Huyen Pham Thanh
Published: March 2024

Porous spherical LaFeO3 (PS‐LFO) sample was prepared using a simple hydrothermal method and found to be a potential gas sensor for NH3 detection. Structural characteristic of the sample was examined by several techniques, including X‐ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRD investigation confirmed the formation of porous spherical LaFeO3 with a perovskite phase. TEM and SEM results revealed the porous structure of the material. The presence of functional groups was confirmed using Fourier transform infrared spectroscopy (FT‐IR). Orthorhombic porous spherical LaFeO3 calcined at 700 oC was employed as a gas sensor for detection of ammonia gas. The results revealed that PS‐LFO‐based sensor showed p‐type gas sensing behavior with good sensitivity, rapid response, and sub‐ppm detection limit to ammonia gas at 325 oC.
Decomposition of glyphosate in water by peroxymonosulfate activated with CuCoFe‐LDH material
Authors: Dung Nguyen Trung , Thao Vu Dinh , Huy Nguyen Nhat
Published: March 2024

In this study, the CuCoFe‐layered double hydroxide was employed for the degradation of glyphosate in water via peroxymonosulfate (PMS) activation. Scanning electron microscopy, X‐ray powder diffraction, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, and Brunauer‐Emmett‐Teller analyses were used to characterize the material. The effects of the catalytic system, initial solution pH, and catalyst and PMS dose on the degradation efficiency of glyphosate were investigated. The results indicated that after 6 min the CuCoFe‐LDH/PMS system can degrade 99.54 % of glyphosate (100 mg/L) using 100 mg/L of CuCoFe‐LDH, 200 mg/L of PMS, and pH 11. In addition, radical quenching experiments prove that the reactive oxygen species (e.g., SO4●‐, HO●, O2●–, and 1O2) are formed and SO4●‐ plays a decisive role in glyphosate degradation. Moreover, the CuCoFe‐LDH catalyst is reusable and stable with a glyphosate removal efficiency of 90.34 % after five continuous degradation cycles.
Synthesis of two 2,3,4,5‐tetrahydrooxepin‐7‐ylamino)benzoate derivatives as antibacterial agents against Escherichia coli and Staphylococcus aureus
Authors: Maria López‐Ramos , Lauro Figueroa‐Valverde , Francisco Díaz‐Cedillo , Ricardo Gobato , Areza Heidari , Marcela Rosas‐Nexticapa , Virginia Mateu‐Armad Maria , Magdalena Alvarez‐Ramirez
Published: March 2024

Some protocols have been used to preparation of oxepine analogs using some substances which require special conditions such as higher‐temperatures or differences in the pH. The objective of this study was to synthesize two new oxepine‐derivatives from a Bicyclo[6.1.0]‐alkyne analog. Besides, the antibacterial effect against Escherichia coli and Staphylococcus aureus was determinate. The results showed that protocols used for synthesis of two oxepine analogs do not require special conditions to give a good yielding. Other data showed that oxepine analogs decreased the growth bacterial of Escherichia coli and Staphylococcus aureus. In conclusion, in this investigation a facile method for the synthesis of two oxepine derivatives is reported; in addition, these compounds could be good candidates as antibacterial reagents.
Development of an efficient protocol for the synthesis and molecular docking studies of Pyrimidine containing 1,2,4‐triazolo[3,4‐b]‐1,3,4‐thiadiazol‐3‐yl) thio)‐1‐phenylethanone derivatives as promising anticancer agents
Authors: Marupati Siddhartha , Kasula Susmitha , Satheesh B , Bireddy Srinivasa Reddy , Eppakayala Laxminarayana
Published: March 2024

Pyrimidine containing 1,2,4‐triazolo[3,4‐b]‐1,3,4‐thiadiazol‐3‐yl)thio)‐1‐phenylethanone derivatives shows superior biological activity. In this view, we synthesized a combination of Pyrimidine and triazolo thiadiazole. The target compounds (4a‐o) were synthesized using 5‐methylpyrimidine‐2‐carboxylic acid (1), 4‐amino‐4H‐1,2,4‐triazole‐3,5‐dithiol (2) as starting materials. The prepared compounds were analyzed by spectral analysis and docking studies were carried out into the active site of enzyme dihydrofolate reductase (DHFR), [PDB ID: 3NU0]) using Flare GUI software. The docking outcome revealed that these derivatives have good LFdG score ranging from‐8.0 to ‐10.53 kcal/mol. According to the most recent research, they could be even better to make them even more effective against cancer.
Preparation of electrospun hybrid polyacrylonitrile nanofibers containing TiO2/Fe3O4 and their capsaicinoids adsorption applications
Authors: Salehipour Masoud , Rezaei Shahla , Haddad Reza , Mogharabi‐Manzari Mehdi
Published: March 2024

Capsaicinoids are a group of alkaloids responsible for the pungent and spicy flavor in chili peppers, with bioactive properties. Spray of pepper made from the active ingredient of capsicum oleoresin and other inert ingredients. In this study, polyacrylonitrile (PAN)/TiO2/Fe3O4 composite nanofiber was prepared by electrospinning method. To optimize the factors effecting diameter of membrane, Taguchi method was applied. Optimum conditions such as 9 wt% PAN, 10 wt% TiO2/Fe3O4, voltage 10 kV, and 20 cm needle tip‐to‐collector distance were selected. The specific surface area of nanofiber, 10.51 m2g‐1, was confirmed by nitrogen sorption isotherm analysis. Then, nanofiber was used as a new absorbent membrane for adsorption of capsaicinoids. After optimizing conditions using Central Composite Design (CCD), the high efficincy was obtained by 50 mg/mL nanofiber membrane, which exhibited about 96 % adsorption efficiency after 10 min contact time for 1 mg/mL of capsaicinoids. The obtained membrane could be reused for capsicinoids adsorption with high efficiency for multiply times. The results showed that the obtained nanofiber membrane has the great potential to be used in protective clothing and chemical masks to absorb the active ingredients in spray pepper.
B and Au dopedZnOandZnO/Cu(111) bilayer films: ADFTinvestigation
Authors: Thang Ho Viet , Tram Do Vu Thuy , Thong Pham Le Minh , Quang Duong Tuan , Nam Pham Cam
Published: March 2024

Abstracts

The structural and electronic properties of B and Au doped graphite‐like ZnO and ZnO/Cu(111) bilayer films have been investigated by using the DFT + U scheme including dispersion correction and compared to that of undoped materials. The differences in electronic properties of the B and Au doped ZnO and ZnO/Cu(111) films compared to undoped materials were probed by CO adsorption. The same oxidation state of B (+3) was observed for B doped ZnO and ZnO/Cu(111) bilayer films. However, an excess electron associated with B doping is delocalized over the conduction band of ZnO, while it transfers to underlying Cu support of ZnO/Cu(111). This is evidenced by a much large redshift of CO frequency on B doped ZnO versus the small redshift of CO frequency on B doped ZnO/Cu(111). At variance, the oxidation state of Au dopant was reduced from +2 (5d9) for Au doped ZnO to +1 (5d10) for Au doped ZnO/Cu(111) films. This is due to the charge transfer from Cu support to doped Au which results in the stronger binding of CO on Au doped ZnO/Cu(111) compared to ZnO bilayer films. However, a slight difference in CO frequency was found for CO bound to Au doped ZnO and ZnO/Cu(111).
Synthesis and characterization of ethyl‐6‐methyl‐2‐oxo‐4‐(3‐(2,4,5‐trifluorobenzamido)phenyl)‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate. A DFT approach
Authors: Adaikalaraj C. , Bhakiaraj D. , Asha Radhakrishnan Nandini , Sandosh Thiruthuvadevaraj Antony , Manivarman S. , Paularokiadoss Francisxavier
Published: March 2024

This study details the synthesis and spectrum analysis of ethyl‐6‐methyl‐2‐oxo‐4‐(3‐(2,4,5‐trifluorobenzamido)phenyl)‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate (TFPPC). Hydrogen bonding between the carboxylate side chain and the dihydropyrimidine ring bearing the methyl group is caused via the C30–H31–O22 interaction. 2.475 and 2.236 are the intramolecular hydrogen bonds in these two O22H31 and O38H15 molecules, respectively. We were able to establish the optical characteristics of this unique (TFPPC) molecule using the polar relationship, which was utilized to forecast the change in hyperpolarizability. To study the optical band gap between valence and conduction bands and the electrostatic potential of the molecule, DFT simulations were used. The docking experiments were performed to theoretically assess the antibacterial capabilities of the chemical. Staphylococcus aureus is more efficient against Bacillus subtilis in terms of antibacterial activity. Feature drug development may take into account the compound's drug‐like properties. Toxicological predictions show that the molecule is less harmful, and its in‐silico properties are significant.
Corrosion inhibitors for carbon steel: A review
Authors: Desai Pradnya D. , Pawar Chetan B. , Avhad Madhavi S. , More Aarti P.
Published: March 2024

Corrosion inhibitors are one of the practical and cost‐effective way of preventing and inhibiting corrosion. An inhibitor's primary function includes creating a barrier by forming one or more molecular layers to protect against corrosive attacks. Organic molecules are one of the most popular, efficient, and practical corrosion inhibitors, and all studies demonstrate that organic compounds, preferentially those containing nitrogen (N), sulphur (S), and oxygen (O), have high inhibitory efficiency. Also, corrosion inhibitors include inorganic compounds. Since inorganic and organic inhibitors are both toxic and expensive; emphasis is being placed on developing green corrosion inhibitors as well as on modification of inhibitors. We are focusing on carbon steel (CS) substrate in this review as it is the first‐line material and is widely employed in various industrial applications. Whereas corrosion resistance of CSs in acidic environments is a constantly evolving topic, working on better performance of CSs as more cost‐effective alternatives to other alloys.
Effect of substituent on the rate of reaction between 4Y‐ArNH2 (Y = H, F, Cl, CH3, OCH3, NH2, N(CH3)2, CF3, CN, NO2) with CH3OO• in the gas phase
Authors: Thao Pham Thi Thu , Trang Vo Quoc , Hai Pham Thanh , Thong Nguyen Minh , Phuong Nguyen Thi Dong , Oanh Doan Thi Yen , Nam Pham Cam
Published: March 2024

Effect of substituent (Y), including halogen (F and Cl), electron donating (ED) and electron withdrawing (EW) group on the thermoparameters and kinetic behavior of reactions between 4Y‐ArNH2 and CH3OO• was computationally studied using density functional theory (DFT) at M05‐2X/6‐311++G(d,p) method in combination with the transition state theory (TST) in Eyringpy program. Based on the three mechanisms of reaction between 4Y‐ArNH2 and CH3COO•, namely the hydrogen transfer (HAT/PCET), single electron transfer ‐ proton transfer (SET‐PT), and sequential proton loss electron transfer (SPLET), the effects on the thermoparameters involved in these mechanisms were investigated. ED group reduces the bond dissociation energy (BDE) and ionization energy (IE) then also increases the rate of hydrogen transfer reaction of 4Y‐ArNH2 and CH3OO•. Hydrogen atom transfer reaction of ArNH2 with CH3OO• at 298.15 K in the gas phase preferably takes place via PCET with the rate constant kPCET of 1.19×10‐19 cm3.molecule‐1.s‐1 is higher than that of kHAT of 2.19×10‐20 cm3.molecule‐1.s‐1. The rate constants of all 4Y‐ArNH2 + CH3OO• reactions were also reported and PCET mechanism is dominated with the branching ratio (Γ%) ranging from 73 % to 95 %.
Shallot peel (Allium ascalonicum L.) extract, the antioxidative, antibacterial properties and fish preservation capacity
Authors: Anh Phan Thi Hoang , Truc Le Thao Gia , An Tran Thi Tuong
Published: March 2024

This study aimed to extract and evaluate some properties and the capability of phenolic components from shallot (Allium ascalonicum L.) peels for usage as fish preservative. It was found that shallot peels extracted twice with 70 % ethanol solvent, within 60 minutes, at 60 oC and the ratio of solid/liquid 1/20 (g/mL) gave highest polyphenol and flavonoid yields. Total polyphenol content and total flavonoid content of the extract were 224.34±5.66 mg GAE/g DW and 255.11±4.35 mg QE/g DW, respectively. The extract demonstrated potent DPPH scavenging capacity with IC50 value of 16.77±0.23 μg/mL and high antibacterial activities on Bacillus subtilis, Escherichia coli and Staphylococcus aureus with MIC values were 224, 160 and 224 μg/mL, respectively. Through measuring PV, TBARS values of basa catfish fillets coated with the extract suspension, it was observed that shallot peel extracts could strongly inhibit lipid oxidation. Suspension of 3 % extract displayed inhibitory capacity comparable to that of 200 ppm BHT, a commercially employed antioxidant, after 3 days in refrigerator conditions (4 °C) and up to 4 weeks in deep‐freezing conditions (‐18 °C).
Essential oil of Syzygium boisianum (Gagnep.) Merr. & L.M.Perry: Chemical compositions, antimicrobial activity, and molecular docking
Authors: Huong Le Thi , Chung Nguyen Thi , Duc Dau Xuan , Dai Do Ngoc , Hai Pham The , Son Ninh The
Published: March 2024

Essential oil obtained from hydrodistillation of the Vietnamese Syzygium boisanum leaves was analyzed by the GC/FID‐MS (gas chromatography/flame ionization detection‐mass spectrometry). Forty‐five compounds (90.08%) were namely identified, in which sesquiterpene hydrocarbons (73.07%) were the major chemical class. Among identified compounds, β‐caryophyllene (18.21%) and bicyclogermacrene (25.47%) were the principal compounds. This essential oil was comparable with the positive control streptomycin in an antimicrobial assay against three Gram‐positive bacteria Enterococcus faecalis ATCC299212, Staphylococcus aureus ATCC25923, and Bacillus cereus ATCC14579. Docking study of two major sesquiterpene hydrocarbons β‐caryophyllene and bicyclogermacrene against bacterial DNA gyrase B showed that these two compounds mainly interacted with hydrophobic residues at the rim of the pocket, thereby they are possible inhibitors.
Chemical constituents and biological activities of the seed essential oil from Michelia tonkinensis grown in Thanh Hoa province, Viet Nam
Authors: Bach Pham Cao , Tuyen Tran Thi , Nghi Do Huu , Bich Hoang Thi , Vien Trinh Anh , Quan Pham Minh , Toan Tran Quoc , Thuy Dinh Thi Thu , Thuy Nguyen Thi , Inh Cam Thi , Minh Pham Thi Hong , Van Nguyen Thi Hong
Published: March 2024

Essential oils (EOs) from the seed of Michelia tonkinensis were extracted in four ways hydrodistillation (HD), microwave‐assisted hydrodistillation (MHD), ultrasound‐assisted hydrodistillation (UHD) and enzyme‐assisted hydrodistillation (EHD). The chemical constituents of these EOs were analysed by gas chromatography (GC‐FID) and gas chromatography/mass spectrometry (GC/MS). Phenylpropanoids were the main components in which safrole is the dominant constituent (82.98‐91.53%), followed by monoterpene hydrocarbons (5.26‐11.94%). In comparison with traditional hydrodistillation method (HD only), the EOs obtained from the MHD, UHD and EHD methods have the higher safrole contents (91.32%, 90.96% and 90.25%, respectively). The essential oils were also tested for their antioxidant, anti‐imflammatory, antimicrobial and cytotoxic activities. The HD essential oil sample showed inhibitory activity against 6/8 tested microorganisms, i.e., Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Bacillus subtillis, Candida albicans, and Saccharomyces cerevisiae. The MHD and EHD exhibited the inhibitory activity against three strains E. coli, A. niger and F. oxysporum. The UHD inhibited E. coli and F. oxysporum.
Discovery of novel thiazole derivatives as anti‐breast cancer agents (MCF‐7) and validation of homologous effects on SARS‐CoV‐2 virus using in silico approaches
Authors: Quang Nguyen Minh , Linh Bui Thi Trieu , Uyen Tran Tu , Ngoc Vu Thi Bao , Hoa Tran Thai , Van Tat Pham
Published: March 2024

The development of new drugs with activity against breast cancer (MCF‐7) and SARS‐CoV‐2 based on new thiazole derivatives is still of great interest to many scientists. In silico models have been successfully used to orient the design of novel substances, predict IC50 activity, and screen 12 newly designed derivatives of TAZD. The predictive quality of the QSAR models are shown in the statistical values R2train = 0.945, Q2LOO = 0.919, and SE = 8.40 for QSARMLR, and the statistical values R2 = 0.984, Q2test = 0.985, and Q2CV = 0.996 for the QSARANN I(8)‐HL(10)‐O(1) models. The PPI interaction network pharmacological model was used to screen and evaluate the specific effects of TAZDs on target proteins for breast cancer and SARS‐CoV‐2. The obtained TAZD derivatives were consistent in drug‐likeness according to the Lipinski principle. The compound TAZD8 has good inhibitory potential for the 1R42‐PDB protein of breast cancer cells MCF‐7 and the SARS‐CoV‐2 virus. The compound TAZD8 has the ability to strongly bind to the middle region of two proteins, ACE2‐PDB and 6LU7‐PDB. Therefore, thiazole‐based TAZD8 was found to be a derivative with good potential inhibitory activity against Mpro SARS‐CoV‐2 and the 1R42‐PDB protein for breast cancer MCF‐7.
Magnetic molecularly imprinted polymer for trace pharmaceutical analysis: Preconcentration and the electrochemical determination of sufentanil in biological fluids
Authors: Abedi Hamid , Roostaie Ali
Published: March 2024

A magnetic molecularly imprinted electrochemical sensor was developed for selective determination of sufentanil (SUF) based on carbon paste electrode (CPE) modified with methacrylic acid‐ethylene glycol dimethacrylate‐coated Fe3O4 nanoparticles (Fe3O4@MAA‐EGDMA NPs). The structural properties, chemical structure, and electrochemical behaviors of the imprinted sensor were characterized by X‐ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FT‐IR), and square wave voltammetry (SWV), respectively. The prepared sensor revealed admirable recognition ability and selectivity for sufentanil. The substantial variables affecting the performance of extraction and SWV were considered and optimized by the batch mode experiment. Under optimal conditions, the method was capable of determining SUF in the range of 1.0×10‐9 to 6.0×10‐8 mol L‐1. The limit of detection (LOD) of sufentanil was found to be 0.2×10‐9 mol L‐1 (n = 10). The accuracy of the method was studied by recovery measurements on spiked samples. Admirable recovery results (96.0‐102.5%) with satisfactory relative standard deviation (RSD) were attained. According to the obtained results, the present method has high selectivity and reliability for the preconcentration and determination of sufentanil in various biological samples, including urine and plasma, without the use of sample pretreatments.
Electronic and optical properties of metal decorated graphitic carbon nitride M/g‐C3N4 (M = K, Ca, Ga, Ni, Cu): A theoretical study
Authors: Be Pham Thi , Trinh Bui Cong , Van Thuc Nguyen , Ha Nguyen Ngoc , Ha Nguyen Thi Thu
Published: March 2024

The influence of single metal doping (K, Ca, Ga, Ni, Cu) on the electronic and optical characteristics of graphitic carbon nitride (g‐C3N4) was explored utilizing a semi‐empirical tight‐binding‐based quantum chemistry technique (GFN2‐xTB). The calculated results of interaction energy, analyzing the charge transfer, and the bond order revealed that chemical bonds were formed between the metal atom and g‐C3N4. Furthermore, the bond formation between doped metal atoms with g‐C3N4 is predominantly covalent, except for K. The fractional occupation density analysis of the M/g‐C3N4 systems shows different distributions of active electrons across the material systems. The frontier molecular orbitals (HOMO, LUMO) distribution utilized to assess the photogenerated electron and hole recombination of the catalytic systems. Due to the efficient separation of the photogenerated electron‐hole pairs, Ni/g‐C3N4 exhibits the highest photocatalytic activity among the studied systems. On the basis of more extensive electronic and optical property calculations including ionization potential, electron affinity, global electrophilicity index, band gap energy, and UV‐VIS spectra, the Ni/g‐C3N4 photocatalyst's high activity can be explained and interpreted.
Assessment of marine antifouling property of fluoropolymer nanocomposite coating on steel substrate ‐ A preliminary assay in laboratory
Authors: Thai Nguyen Xuan , Chinh Nguyen Thuy , Quan Vo An , Hung Dao Phi , Hiep Nguyen Anh , Dung Hoang Tran , Khanh Hoang Dinh , Hoang Thai
Published: March 2024

This paper presents the results of immersion assay on antifouling performance of a fluoropolymer nanocomposite coating on the steel substrate using natural seawater medium in laboratory. The fluoropolymer nanocomposite coating was composed in the presence of reinforcement additives, including organically modified titanium dioxide (m‐TiO2), organically modified zirconium dioxide nanoparticles (m‐ZrO2) and antifouling agent of Cu2O nanoparticles and fluoropolymer. The ratio of m‐TiO2/m‐ZrO2/Cu2O was fixed at 2/2/5 wt.% in comparison with the fluoropolymer weight. The immersion test was applied to evaluating the antifouling performance of the nanocomposite coating in the natural seawater and has been carried out in dynamic condition at the room temperature of 30 ± 0.1 oC during 60 days of testing. The change in characteristics of the nanocomposite coating was observed and recorded weekly including contact angle, color of coating and the released Cu ions content. Other characteristics such as infrared spectroscopy, surface morphology, abrasion resistance and adhesion of the nanocomposite coating were analyzed before and after testing. The obtained results showed that Cu ions could release with a low rate from the nanocomposite coating when rising immersion time and the release of Cu ions followed a linear equation. The contact angle and gloss of the coating were slightly reduced during testing period, indicating that the smoothness of the coating surface did not change significantly when immersed in natural seawater. The adhesion and abrasion resistance of the coating were almost unchanged after 60‐day testing. In summary, the nanocomposite coating has good antifouling performance when immersion under natural seawater in the laboratory, considering the above specific characteristics, including the synergistic effect of reinforcement fillers (m‐TiO2, m‐ZrO2 nanoparticles) and antifouling agent (Cu2O nanoparticles) in the polymer matrix. This in‐lab experiment in natural seawater medium has confirmed the nanocomposite coating's antifouling performance and facilitated practical deployment.
Development of liposome capped mesoporous silica nanoparticle for anticancer drug delivery
Authors: Nguyen Dinh Tien Dung , Nguyen Ngoc Hoi , Truong‐Thi Ngoc‐Hang , Ching Yern Chee , Nguyen Tan Phu , Nguyen Dai Hai
Published: March 2024

Mesoporous silica nanoparticles (MSNs) have been used as an anticancer drug delivery system with high safety and entrapment capacity thanks to their large internal space for drug accommodation, durable structure, and good biocompatibility. However, the treatment efficiency of the bare MSNs is limited due to its drug leakage and burst release. In this study, a phospholipid bilayer was covered on the MSNs surface (MSN@Lip) as a liposomal cap that not only reduced drug leakage but also improved the stability of the colloidal system. The chemical structure of MSNs and MSN@Lip was characterized by Fourier transform infrared spectroscopy (FT‐IR) and energy‐dispersive X‐ray spectroscopy (EDX). The particle size and morphology were determined by dynamic light scattering (DLS). The results demonstrated that the MSN@Lip was successfully synthesized with the hydrodynamic diameter and zeta potential of 177.13±1.5 nm and ‐57.57±4.00 mV, respectively. The optimal condition was sonication for 30 minutes at 60°C, with the Lip‐MSNs ratio as 3:1 (w/w). The SEM images showed that MSN@Lip has a spherical shape with high monodispersity. Releasing profile of doxorubicin (DOX) indicated that the formation of liposomal cap on MSN successfully reduced DOX burst release. The MSN@Lip is a potential delivery material for clinical translation because of colloidal stability, good drug loading content, and sustainable drug release.
Study on enzyme‐assisted extraction of the total phenolic content, vitamin C and antioxidant activity from Beta vulgaris var.rubra
Authors: Giap Vu Dinh , Nhan Ngu Truong
Published: March 2024

Beta vulgaris var.rubra (B. vulgaris) is a plant that is widely distributed in Vietnam, which has been shown to contain phytochemical compounds, including: vitamin C, total phenolic content, antioxidant activity and other substances, that can be used to produce antioxidant extracts and positive benefits for human health. Currently, the extraction process of bioactive compounds by popular methods such as mechanical grinding and ultrasonic extraction has been relatively ineffective. Therefore, in this study, enzyme‐assisted extract was used to enhance the yield of these compounds from B. vulgaris. The aim of this work was to study factors affecting the extraction of these compounds from B. vulgaris such as extraction time (min), different enzyme activities per gram of dried B. vulgaris (substrate, U/gds). These results indicate that, these bioactive compounds, including: total phenolic content, vitamin C, and antioxidant activity from dried extract of B. vulgaris were higher than the control sample (enzymes inactivate or without enzyme), under the extraction condition at 50oC, pH 5.0 after 12 hours incubation with Cell/Xyl (at least 20U/gds). Then, the highest efficiency of the total phenolic content, vitamin C, and antioxidant activity obtained were 13.54 mg GAE/gds, 3.12 mg/gds and 84.21%, respectively.
Research Activities at Faculty of Chemical Technology, Hanoi University of Industry ‐ 20 Years of Growth and Development
Authors: Nguyen Tuan Anh , Nguyen The Huu , Pham Van Dong , Vu Minh Tan , Pham Thi Mai Huong
Published: March 2024

Hanoi University of Industry, with a 125‐year history of construction and development, is the leading institution for training and applied scientific research in Vietnam. It offers a wide range of disciplines, types, and levels of education to produce high‐quality human resources for the country's industrialization, national modernization, and international integration efforts. The university currently boasts over 1,500 staff and lecturers, three campuses covering nearly 50 hectares, and a student population of more than 30,000. Hanoi University of Industry provides multidisciplinary training, providing high‐quality human resources for society. In which, the Faculty of Chemical Technology was established on March 1, 2003, in 20 years of construction and development, the faculty has constantly grown, annually providing the society with many high‐quality human resources, with many fields of study diverse, learning, training: Chemical engineering technology, Environmental engineering technology, Food technology and Pharmaceutical chemistry. Besides, the faculty, students and students of the faculty have made great efforts in training, studying and doing scientific research, achieving many excellent achievements.
Military History and Collective Identity
Authors: Rijnoveanu Carmen-Sorina
Published: March 2024

Each country has a national story that forges a sense of identity and – as Patrick Finney put it – while language, religion, culture, and traditions are key elements, war has traditionally been at the core of identity construction, shaping the collective national sentiment and the sense of Self (Finney,Remembering the Road to World War Two: International history, national identity, collective memory. Routledge, 2011).

Recently, scholars have increasingly become interested in the way in which war and war experiences frame collective identities. From this perspective war and identity are closely intertwined, and this interactive process can explain not only how identities are created but how they may produce various typologies of warfare practices and states’ conduct. Such a conceptual paradigm provides new windows to a study of past wars but also prepares the ground for a better understating of current or future conflicts.

Which role does military history play in the collective identity of nations and other collectives, how does war memory shape the architecture of identity construction, and how does identity-memory dynamics frame states’ strategic thinking? These are the central questions of this text. While the possible answers to such questions depend on multiple variables, there is a broad scholarly consensus that this is an area of research that needs to be further explored, especially in the light of new advancements in the field of cultural and social studies. Wars are fought on two main fronts: on the battlefield and in people’s minds where it maintains an enduring influence that is preserved over generations. The way people remember and memorialize the experiences of war allows us to gain a more comprehensive view on the set of practices, norms, values, and emotions that shape collective identities and determine typologies of state behavior in military and security affairs.
Überblick zu chronobiologischen und schlafmedizinischen Aspekten bei Depressionen im Jugendalter
Authors: Ghotbi Neda , Scherff Aline Doreen , Greimel Ellen , Schulte-Körne Gerd
Published: March 2024

Bei Jugendlichen mit Depression werden mit einer Häufigkeit von bis zu 71 % Veränderungen des Schlafes berichtet. In dieser narrativen Übersichtsarbeit werden chronobiologische und schlafmedizinische Aspekte bei Depressionen im Jugendalter basierend auf der aktuellen Forschungsliteratur zusammenfassend dargestellt. Die circadiane Uhr des Menschen ermöglicht die Synchronisierung unseres Organismus mit der Licht-Dunkel-Struktur der Umwelt. Die individuelle Synchronisierung wird als Chronotyp bezeichnet. Der Chronotyp verändert sich u. a. altersabhängig und Jugendliche weisen die spätesten Chronotypen auf. Wenn es durch frühe Schul‑/Arbeitszeiten zu einer Diskrepanz zwischen Chronotyp und Außenzeit kommt, entsteht der sog. soziale Jetlag. Dieser soziale Jetlag tritt im Jugendalter vermehrt auf und ist mit zahlreichen gesundheitlichen Risiken, wie zum Beispiel Depressionen, verbunden. Veränderungen des Schlafes sind im Zusammenhang mit Depressionen gut beschrieben und treten im hohen Maße komorbid zu affektiven Erkrankungen auf. In diesem Artikel werden zu Beginn grundlegende Konzepte der Chronobiologie und schlafmedizinischer Aspekte zusammengefasst. Anschließend werden Gesundheitsrisiken und Zusammenhänge zu Depressionen spezifisch für Jugendliche erläutert, bevor dieser Artikel mit Empfehlungen für die klinische Versorgung bei Schlafstörungen und Depressionen im Jugendalter sowie für weitere Forschungsvorhaben schließt.
Analysis of self-supporting conformal cooling channels additively manufactured by hybrid directed energy deposition for IM tooling
Authors: Wilson Neil , Gupta Manhar , Mazur Maciej , Patel Milan J. , Nguyen Vu , Gulizia Stefan , Cole Ivan S.
Published: March 2024

Additive manufacturing (AM) of injection moulding (IM) tools has attracted significant interest in the polymer manufacturing industry for quite some time. However, hybrid manufacturing (HM) using directed energy deposition (DED), which involves concurrent additive and subtractive manufacture, has not been a commonly used process for IM tooling manufacture. This is apparent despite several advantages over the prevalent laser-powder bed fusion (L-PBF) alternative, including higher build rate, lower cost and integrated machining to directly achieve higher tolerances and surface finish. A key reason for this low utilisation is the limited ability of DED processes to produce circular channel profiles typically used in IM tooling, due to stricter constraints on the manufacturability of overhanging geometry. To address this, a range of self-supporting IM cooling channel profiles suited for hybrid laser and powder-based DED manufacture are proposed in this work. Numerical and experimental evaluations are conducted of the cooling performance of several non-circular conformal cooling channel (NCCC) profiles to identify a profile which achieves the maximum heat transfer for a constant cross-sectional area and coolant flow rate. Experimental studies included AM builds to evaluate the DED manufacturability of the selected NCCC profile on a conformally cooled HM benchmark model, followed by cooling performance characterisation, including a comparison against a reference L-PBF manufactured benchmark model. In conclusion, a shape correcting factor is obtained using response surfaces. This factor is used to convert thermal performance calculations for non-circular profiles to a conventional circular channel profile to simplify the DED manufacturing process for non-circular IM cooling channels.