bluuebunny/crossref_metadata_2025_split huggingface dataset:
The potential of 2,5‐dichloroaniline and ammonium thiosulphate and their combination as nitrification inhibitors
Authors: Mehmood Faisal , Khadim Zeeshan , Zaman Qamar Uz 
Published: March 2024

AbstractIn the current research, nitrification inhibitors such as 2,5‐dichloroaniline, ammonium thiosulphate, and their combination (1:1) were used to slow down the nitrification process to increase the nitrogen availability for crops. The various levels of 0.1, 0.25, and 0.5 % were used for each inhibitor on three types of soil. Leachates were collected from each treatment, add 1ml of 0.1 % chromotropic acid solution and 6 mL of concentrated sulfuric acid, swirled in the flask, and left at room temperature, yellow color was developed after 45 minutes. Then absorbance reading was noted for each sample by spectrophotometer at the wavelength of 430 nm. NO3‐ ‐N content was determined by the standard curve method. From inhibitors, the combination of both inhibitors shows minimum NO3‐ ‐N content as 154.29 and 112.83 ppm than other chemicals for 2nd and 14th days respectively. From soil, Sheikhupura soil shows minimum NO3‐ ‐N in the leachate as 176.26 (2nd day) and 105.03 ppm (14th day) as compared to other soils. From the levels, 0.25 % shows minimum NO3‐ ‐N as 118.05 (2nd day) and 63.18 ppm (14th day) as compared to other levels. The combination (1:1) and the level 0.25 % were found more suitable to reduce the nitrification process in Sheikhupura soil.
Synthesis, characterization, DFT studies, and molecular modeling of hydrazinelidene‐3‐oxo‐3‐(p‐olyl) propanal derivatives as potential candidate for Hepatitis B and C treatment
Authors: Louis Hitler , Egemonye Thank God C. , Edet Henry O. , Agwamba Ernest C. , Unimuke Tomsmith O. , Adeyinka Adedapo S. 
Published: March 2024

AbstractSerious liver conditions including cirrhosis, hepatocellular carcinoma, and liver failure can be brought on by hepatitis B and C (HBV and HCV) infection. In our study, compound H_B and H_E were synthesized, spectroscopically, theoretically characterized, and investigated as potential drug for HBV and HCV. The stability of the investigated compounds as well as their Inter‐ and intramolecular interactions were investigated using the density functional theory with the B3LYP/6‐311+G (d, p) basis set. Lower energy gaps for studied compounds indicate compound ds to be reactive. The maximal absorption wavelengths of the substances under investigation were ascertained using the UV absorption spectrum. The optical property of the compounds under investigation was also calculated. Various vibrational modes displayed by functional groups present in the examined compounds were considered. Thereafter, docking was performed to determine the compatibility of compounds in study with selected hepatitis B and C proteins in comparison to recommended drugs Sofosbuvir and lamivudine. The results of molecular docking were based on binding affinity. Compound H_E, with a binding affinity of ‐7.6 kcal/mol has more potential in treating hepatitis than H_B, which has a binding affinity of ‐7.1 kcal/mol and is also a better anti‐hepatic agent than standard drugs sofosbuvir and lamivudine with lower binding affinities. Hence, H_E has the potential to treat HBV and HCV.
The effect of binder molecular weight and talc mineral filler on expansion ratio and hardness in intumescent material
Authors: Tu Nguyen Thi Ngoc , Van Duan Le , Trang Tran Thu , Lien Nguyen Thi , Ninh Vu The , Ly Giang Thi Phuong , Dung Nguyen Viet 
Published: March 2024

AbstractIntumescent flame retardant coatings were prepared including binder (acrylic resin), solvent, TiO2, talc and flame retardant system (ammonium polyphosphate‐APP, pentaerythritol‐PEN, and melamine‐MEL). To evaluate the effect of molecular weight on the swelling process as well as the hardness of the charred layer, the acrylic resins with different molecular weights were applied. In particular, by incorporating of talc mineral, the performance of the APP‐PEN‐MEL system is significantly improved. The results showed that the highest molecular weight acrylic resin has the best expansion ratio (53.72 times) and the highest hardness of charred layer (15.5 N at the compression of 30 %). The coating with 2.5 % talc powder can be considered as an optimized content of the char layer.
Hamburger‐liked selenium doped‐zinc oxide decorated in graphene for assessing enhanced phenolic compound removal
Authors: Trinh Dinh Ngoc , Huong Le Minh , Hai Nguyen Duy , Thinh Doan Ba , Dat Nguyen Minh , Ky Nham Minh , Phuc Bui Ngoc , Phuc Nguyen Thien , Khoa Ta Dang , Oanh Doan Thi Yen , Phong Mai Thanh , Hieu Nguyen Huu 
Published: March 2024

AbstractHerein, selenium doped‐zinc oxide decorated in graphene (Se@ZnO/Gr ‐ SZG) was facilely synthesized via the hydrothermal method with orange peel extract as a reducing agent. The composite was well characterized by various modern analytical methods. In terms of the characterization analysis, the synthesized Se@ZnO with high crystallinity has a hamburger‐like structure uniformly distributed on the graphene sheets. The effects of catalyst dosage, H2O2 volume, and pH on the photodegradation of para‐nitrophenol are studied. Besides, the investigation of the photodegradation performance revealed a 99.22 % elimination under treatment of 15 mg of SZG catalyst in the presence of 1.25 mL H2O2 at pH 9 for 100 min UV irradiation. Accordingly, the results express the potentiality of the material in organic matter treatment.
Copper promoted, directed sulfenylation and phenoxylation of benzamide C−H bonds
Authors: Ha Nguyen Van Vinh , Ha Nguyen Thi Thu , Khanh Ong Ngoc , Phuong Dinh Truc , Nhat Ho Thanh , Tung Nguyen Thanh 
Published: March 2024

AbstractHerein we reported a method for copper pivalate mediated, directed functionalization of ortho C−H bonds in (2‐methylthio)aniline benzamides. Diaryl disulfides were used for thiolation, while successful phenoxylation was obtained with phenol as the coupling agent. Our report marks a rare example for flexible transformation of benzamide C(sp2)−H bonds into the corresponding unsymmetrical diaryl ethers and thioethers.
In silico screening of alkaloids as potential inhibitors of HER2 protein for breast cancer treatment
Authors: Tung Bui Thanh , Son Nguyen Nhu , Kim Nguyen Bao , Khanh Do Thi Hong , Minh Phan Hong 
Published: March 2024

AbstractIn breast cancers, the expression of the human epidermal growth factor‐2 (HER2) receptor protein target is overexpressed, which plays a critical role in the development of breast cancer. The HER2 inhibitor neratinib, which is currently on the market, specifically targets the ATP‐binding site of the receptors in the EGFR family to inhibits phosphorylation and several HER downstream signaling pathways but it has adverse effects. Phytochemicals provide a useful substitute because they have less adverse effects and are reasonably priced. Hence, this study focused on finding alkaloid compounds collected from Chemfaces database that inhibit HER2 enzyme employing computational methods such as molecular docking and ADMET prediction. Out of 118 phytochemicals docked to the ATP binding site of the HER2 kinase domain, 10 alkaloid compounds (coptisine, sanguinarine, sorafenib, abiraterone acetate, nocamycin I, tirandamycin B, mahanine, tomatidine, cyclopamine and irinotecan hydrochloride) exhibited higher binding affinity than the reference inhibitor and satisfied the Lipinski's rule of five. All compounds have good pharmacokinetic properties. Therefore, these ten compounds could be potential bioactive molecules to act as inhibitor of HER2 protein. To fully assess the potentials of these phytochemicals, experimental investigations will be required. Our study may accelerate the development of HER2 inhibitor drug.
Solvent‐free, microwave‐assisted, solid‐catalyzed synthesis and α‐Glucosidase inhibition of chalcones
Authors: Van Pham Thi Bich , Huy Le Thanh , Thuy Nguyen Thi Bich , Nga Vo Thi , Tam Le Minh , Phuong Ho , Hao Hoang Minh 
Published: March 2024

AbstractA series of chalcone analogues were synthesized using Claisen‐Schmidt condensation and assayed for in vitro inhibitory activity against α‐glucosidase. The synthesis involved in solvent‐free reaction conditions including NaOH‐catalyzed grinding or microwave irradiation in the presence of a clay‐based catalyst. Hydroxychalcones and 2′‐hydroxychalcones were not isolated when using grinding method, while the microwave‐assisted, clay‐catalyzed synthesis gave these desired products. In addition, flavanones, cyclization products from 2′‐hydroxychalcones were formed in both methods. Flavanones 3g and 3s were the most active toward α‐glucosidase. Compound 3g exhibited an effect (IC50 = 10.4±0.2 μM) close to genistein (IC50 = 7.8±0.3 μM), a known α‐glucosidase inhibitor. Structure‐activity relationship analysis indicated that the 4‐hydroxy substituted motif in ring B of chalcones seems to be an important factor on the α‐glucosidase inhibitory activity. Furthermore, the 3,4‐difluorinated chalcones also exhibited activities as compared to mono‐fluorinated derivatives, suggesting that the more fluorination in ring B may be crucial for the inhibitory activity.
Slab models of rutile TiO2 (110) surface: DFT and DFT+U calculations
Authors: Thoa Tran Thi , Nguyen Trang Thuy , Van Hung Hoang , Hue Nguyen Thi Minh 
Published: March 2024

AbstractThe dependence of rutile TiO2 (1 1 0) surface's structural and electronic properties on the number of layers has been carefully investigated with DFT and DFT+Ud,p approaches using three slab models. We have found that oscillations of surface energy, electronic properties from DFT calculations on the three models are stronger than those from corresponding DFT+Ud,p calculations. The even‐odd fluctuations were demonstrated to relate to over delocalization of electrons, especially electrons in Ti 3d orbitals. The Ud,p corrections in DFT+Ud,p enabled to restrict the oscillations. The F2B slab model weakens the oscillations and calculations on F2B model quickly converge. However, the F2B model leads to artificial narrowness of band gap. Besides, when the number of layers increases, surface energy obtained from all three slab models approaches similar values. In particular, values of surface energy from DFT calculations converge to the experimental range for all three slab models.
Design, virtual screening and in silico QSPR modeling for the development of new thiosemicarbazone‐based complexes
Authors: Quang Nguyen Minh , Chau Huynh Ngoc , Hoa Tran Thai , Ngoc Vu Thi Bao , Van Tat Pham 
Published: March 2024

AbstractEighteen new thiosemicarbazone ligands and 30 new ligand‐based complexes were developed from quantitative structure‐property relationships (QSPR) methods. Stability constants (logβ12) of complexes were calculated on QSPR models that were built by methods of multivariate linear regression (MLR) and artificial neural network (ANN). Six descriptors, including dipole, 5C, 4N, fw, xc3, and ka1 were discovered in the best QSPRMLR model with the good statistical criteria: R2train = 0.892, Q2CV = 0.845, and SE = 0.900. Besides, the ANN model with architecture I(6)‐HL(3)‐O(1) was built from the descriptors of the MLR model with excellent results as R2train = 0.958, Q2CV = 0.966, and Q2test = 0.980. Also, the models were externally validated on the other experimental dataset. Consequently, the resulting QSPR models could be applied to develop new complexes for chemically related fields.
Deposition behavior of electroless Ni‐W‐P coating on Zr‐4 surface
Authors: Yu Hongyan , Wang Tianyi , Jiang Mingyan , Wang Bin , Shen Wenzhu , Zeng Feihong 
Published: March 2024

AbstractElectroless Ni‐W‐P coating was successfully deposited on Zr‐4 alloy by an electroless plating technique. In order to obtain the deposition behavior of Ni‐W‐P coating on the Zr‐4 surface, scanning electron microscopy (SEM, ZEISS EV0MA15), energy dispersive X‐ray spectrometer (EDS), X‐ray diffractogram (XRD, DX‐2700) and electrochemical workstation were used to observe the changes of microstructure, elemental composition, phase composition and corrosion resistance of the coating at different times (3, 5, 10, 30, 60, and 120 min). Based on the analysis of test results, the growth process of Ni‐W‐P coating on a pre‐coated Zr‐4 surface can be summarized as follows: Na3ZrF7→Na3ZrF7 partially transformed into NiZrP→NiZrP was covered by the amorphous materials composing of Ni, W and P elements. Moreover, incomplete Ni‐W‐P coating did not have the ability to improve the corrosion resistance of the Zr‐4 substrate, and the nickel unit cell grew for at least 30 min before initially forming a barrier to the corrosive medium.
Study on chemical composition and α‐glucosidase inhibitory activity from the leaves of Muntingia calabura
Authors: Le Tho Huu , Nguyen Hai Xuan , Van Do Truong Nhat , Nguyen Mai Thanh Thi 
Published: March 2024

Abstract“Trứng cá” (Muntingia calabura) is a special species of the genus Muntingia. Phytochemical studies on the leaves of M. calabura showed that seven compounds were isolated, including R‐(+)‐5‐(δ‐tocopherol‐5'‐yl)‐δ‐tocopherol (1), trans‐phytol (2), ergosta‐4,6,8(14),22‐tetraen‐3‐one (3), ergosterol peroxide (4), stigmasta‐4‐ene‐3,6‐dione (5), 6β‐hydroxystigmast‐4‐en‐3‐one (6), and β‐sitosterol (7). The structures of the compounds were elucidated by mass spectrometry, nuclear magnetic resonance spectroscopy (NMR), and compared to the literature. The biological test result for all isolated compounds showed that compounds 1‐3, and 5‐7 have the ability to inhibit moderately α‐glucosidase with IC50 values ranging from 57.9 to 249.5 μM. Compound 3 processed a significant inhibitory activity effect with an IC50 value of 57.9 μM, more potent than the positive control, acarbose (IC50, 214.5 μM). This is the first time compounds 1‐5 have been reported for the Muntingia genus.
Perovskite MAPbI3 preparation by using deep eutectic solvents (DES) based on acetamide
Authors: Huynh Vu Tan , Ngo Tung Thanh , Tran Thien Sy , Huynh Khanh Quoc , Phan Thuan Thi , Nguyen Phuong Tuyet 
Published: March 2024

AbstractIn this work, we replaced the conventional solvents such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF) by deep eutectic solvents (DES) in the synthesis of methylammonium lead iodide perovskite (MAPbI3). The first DES system was based on the combination of acetamide and urea (A–U–P system), the homogenous solution was formed at relative low temperature (~40°C). For the second system which was based on acetamide and choline chloride (A–C–P system), lead nitrate only dissolved at higher temperature (~100°C). Interestingly, lead nitrate did not precipitate when cooling down the solutions to room temperature for both systems, instead they existed as homogenous gel–like mixtures. From these lead precursors, the MAPbI3 have been formed successfully on the glass substrates by two‐step synthesis method. X‐rays diffraction showed that MAPbI3 existed in three different phases such as Tetragonal, Cubic and Orthorhombic. Scanning electron microscope (SEM) results indicated that the perovskite films formed from both systems possessed high quality with large grain size, few grain boundaries and few pin–holes. The results expressed the possibility in using DES for preparing perovskite MAPbI3 thin films which are ready for applications such as solar cells, resistive random‐access memory.
Triterpenoids from the leaves of Camellia chrysantha growing in Quang Ninh (Vietnam) and their activities on main protease (Mpro) and ACE2
Authors: Van Nguyen Thi Hong , Nghi Do Huu , Bach Pham Cao , Tuyen Tran Thi , Bich Hoang Thi , Toan Tran Quoc , Lam Do Tien , Hoang Le Viet , Quan Pham Minh , Minh Pham Thi Hong 
Published: March 2024

AbstractCamellia chrysantha (Hu) Tuyama (Theaceae) is used as a high‐class herbal tea called “yellow camellia”, “golden camellia”, “camellia queen”. Phytochemical investigation of the leaves of C. chrysantha led to the isolation of four triterpenoids β‐amyrin hexanoate (1), friedelin (2), friedelanol (3), β‐amyrin (4) together with one steroid chondrillasterol (5). Their chemical structures were established based on analysis of their spectroscopic data including 1D, 2D‐NMR, MS data and comparing with literatures. It is the first time β‐amyrin hexanoate and chondrillasterol were isolated from the genus Camellia, and similarly for friedelin, friedelanol and β‐amyrin from C. chrysatha. Beta‐amyrin hexanoate which presents a high amount in the leave of C. chrysantha, exhibited the enzyme inhibitory activity against 3CLpro/Mpro but non‐toxicity toward normal Vero cells.
Combination of magnetic activated carbon and activated sludge for methylene blue and nickel(II) ions removal in aerobic biological treatment
Authors: Dao My Uyen , Ha Thi Dung , Sirotkin Alexander , Le Van Thuan , Nguyen Lan Anh , Do Thi Hanh , Mac The Vinh , Hoang Hien Y 
Published: March 2024

AbstractThe treatment of dyes and heavy metals in aqueous solutions is a major environmental concern, and many methods have been developed to address this problem. However, most of these methods focus on treating either dyes or heavy metals and have their own limitations. Therefore, treatment process that can simultaneously remove both dyes and heavy metals on large scale is essentially required. In this study, we synthesized magnetic activated carbon (MAC) derived from Litsea glutinosa seeds, which was applied to eliminate methylene blue and nickel ions in the aeration tank of the biological treatment system. Structural characteristics and adsorption properties of MAC were studied. The obtained results revealed that the removal efficiency of these pollutants significantly improved as a combination of MAC and activated sludge, especially in the case of nickel ions removal. Furthermore, using MAC in the biological treatment system markedly enhanced the COD removal in compared with that treated without MAC or activated sludge. The advantage of treatment process with MAC addition was also clearly observed by accelerating the settling of activated sludge. Moreover, the obtained results confirmed that wastewater after being treated was assessed as non‐toxic to living organisms by using bioassay.
Preparation and characterization of ZnO composite nanomaterials in chitosan oligosaccharide iodine solution
Authors: Du Bui Duy , Tuan Le Nghiem Anh , Tho Tran Phuoc , Ngoc Doan Thi Bich , Phong Nguyen Trong Hoanh 
Published: March 2024

AbstractComposite nanomaterials of ZnO/chitosan oligosaccharide (ZnO/COS) and ZnO/chitosan oligosaccharide iodine (ZnO/CTS‐I2) were expected to have effective antimicrobial effects due to the synergistic effects of the components. In this work, we present a method to synthesize ZnO nanoparticles with size of 12.3‐15.0 nm stabled in COS with low molecular weight (Mw) 3,321 g/mol and COS‐I2 complex by precipitation of Zn2+ with NaOH at pH 9, and then ultrasonic treatment to form ZnO nanoparticles. The UV‐Vis spectra of ZnO/COS and ZnO/COS‐I2 composite nanomaterials both appeared absorption peaks typical for surface plasmon resonances of ZnO nanoparticles in solution at 372 and 370 nm, respectively. X‐ray diffraction (XRD) patterns confirmed the formation of ZnO/COS‐I2 with wurtzite crystal structure characterized in both materials. The FT‐IR spectra of COS, COS‐I2, nano ZnO/COS, and nano ZnO/COS‐I2 were measured. The characteristic peaks for the bonding vibrations of –OH and –NH2 groups of ZnO/COS and ZnO/COS‐I2 shifted to a larger wavenumber than that of COS. The prepared ZnO/COS and ZnO/COS‐I2 nanocomposite materials may have potential for application as antibacterial agents used in medicine, food, and agricultural product preservation, control of harmful microorganisms on plants, and plant growth promotion.
Evaluating the enantioselective capability of a cellulose tris(3,5‐dimethylphenyl carbamate)‐based stationary phase towards 5,7,2'‐trihydroxyflavanone
Authors: Hung Nguyen Khanh , Thanh Nguyen Tuan , Luyen Nguyen Thi Thuy , Du Nguyen Huy 
Published: March 2024

AbstractIn this study, an evaluation of the enantioselective of a chiral flavanone with 2'‐OH substitution (5,7,2'‐trihydroxyflavanone) on ring C was studied by high performance liquid chromatography using the cellulose tris(3,5‐dimethylphenyl carbamate)‐based stationary phase with n‐hexane and iso‐propanol doped with 0.1% (v/v) trifluoroacetic acid as a mobile phase. Column temperature and mobile phase composition were investigated in the assessment of the chiral separation by considering the enantiomeric resolution factor (Rs). Also, the absolute configurations of single enantiomers were determined by measuring CD spectra based on the exciton‐coupling method. The results pointed out that the 2'‐hydroxy group was capable of advancing the enantioselective of flavanones on the cellulose tris(3,5‐dimethylphenyl carbamate)‐based stationary phase when the column temperature was higher than 30 oC and the mobile phase was of 10% iso‐propanol doped with 0.1% (v/v) TFA in n‐hexane. The absolute configuration determination showed that the enantiomer with the 2S configuration was the first eluted and, consequently, the elution order of the enantiomers of 5,7,2'‐trihydroxyflavanone at optimal conditions was in contrast to 5,7,4'‐trihydroxyflavanone and 5,7‐dihydroxyflavanone. The 2'‐OH substitution on the phenyl moiety appears to be capable of inducing or altering the strength of inter‐and intramolecular interactions when the chiral selectors are immobilized on the silica stationary phase.
Hypercalcaemia as a suspected paraneoplastic syndrome to feline intestinal leiomyosarcoma
Authors: Peneva Emiliya , Gonzàlez‐Gasch Esteban , Sumping Jessica Caline , Rigas Konstantinos 
Published: March 2024

AbstractA 13‐year‐old, female, neutered, domestic, shorthair cat presented with a history of weight loss and vomiting. An intra‐abdominal mass was palpated during clinical examination, and total hypercalcaemia was noted on biochemistry. Imaging findings were consistent with a jejunal mass, which was surgically resected, and an end‐to‐end anastomosis was performed. No other obvious signs of metastatic disease were observed. The hypercalcaemia resolved after 14 days, and histopathology results identified a leiomyosarcoma, which was confirmed by immunohistochemistry staining. After 200 days, the patient returned with signs of hyporexia, weight loss and vomiting. Abdominal imaging evidenced a gastric wall mass and based on the previous clinical history, metastatic spread of the initial leiomyosarcoma was suspected, and the patient was euthanased. This is the first report of intestinal leiomyosarcoma associated with hypercalcaemia.
A bilateral corneal descemetocele as a consequence of corneal dystrophy in a ferret (Mustela putorius furo)
Authors: Cattaneo Alexia , Bersanetti Giulia , Guandalini Adolfo 
Published: March 2024

AbstractThe purpose was to describe the clinical findings, surgery and outcome of a bilateral descemetocele in a ferret (Mustela putorius furo), resulting from corneal dystrophy. A female ferret was diagnosed with a descemetocele in the left eye, as a result of corneal dystrophy with crystalline deposits, which spontaneously detached. Surgery was performed with a corneal graft and a conjunctival flap. No systemic disease was correlated with the corneal dystrophy. After 3 months, the ferret was presented with a descemetocele of the right eye, still due to corneal dystrophy. The same surgery as previously described was performed. The ferret recovered uneventfully from both surgeries and maintained vision from both eyes. This is the first report of corneal dystrophy in a ferret, and the first report of successful surgery on a descemetocele in this species. Surgery is the treatment of choice, and if performed quickly and adequately, has a good outcome.