bluuebunny/crossref_metadata_2025 huggingface dataset:
Genotype × environment interaction and selection parameters for high yielding wheat genotypes under irrigated and heat stress environment
Authors: Bhandari Radhakrishna , Poudel Mukti R.
Published: March 2024

Introduction

Wheat is a significant contributor to the food and nutritional security of the world. Due to climatic constraints and heat stress condition, the potentiality of wheat to eradicate existing hunger and malnutrition has been severely limited all around the world.

Materials and Methods

To evaluate the performance and stability of elite wheat genotype under irrigated and heat stress environment, a field experiment was conducted during the wheat growing season of 2020, 2021 and 2022 under irrigated and heat stress environment that altogether created six distinct wheat growing environments.

Results

The combined ANOVA revealed that all quantitative traits studied were significantly influenced by heat stress environments (p < 0.01). Which Won Where (WWW) model revealed, Bhairahawa lines (BL) 4407, Nepal lines (NL) 1384 and NL 1346 performed best under irrigated environments of 2020, 2021 and 2022 while BL 4407, NL 1384 and NL 1381 performed best under heat stress environment of 2020, 2021 and 2022. WWW model showed, NL 1369, NL 1386 and NL 1376 as the most stable genotypes across irrigated and heat stress environment. The phenotypic correlation, path analysis, network diagram, cluster analysis and cluster based principal component analysis analysis revealed traits, days to booting (DTB), plant height (Ph), spike length (SL), ten spike weight (TSW) and thousand kernel weight (TKW) are most closely associated with grain yield of wheat.

Conclusion

High yielding genotypes should be selected based on earliness in DTB, longer Ph, SL and higher TSW and TKW under both environments. Breeding for taller genotypes should specifically be focused to obtain high yielding genotypes under heat stress environments.
Contesting the boundaries of physics teaching: What it takes to transform physics education toward justice‐centered ends
Authors: Jones Jasmine
Published: March 2024

The underrepresentation of Black Americans in physics has been persistent for so long that it seems to have constrained physics educators' collective imagination when it comes to conceptualizing and pursuing equity in physics teaching and learning. Drawing on a teacher research study that foregrounds justice‐centered physics teaching, this article pushes past the “equity as access” narrative toward more expansive visions of equity and justice by reimagining physics education as a liberatory praxis. Accordingly, this study explores the complexities that emerged while expanding the boundaries of physics learning to embrace a justice‐centered curriculum through a Youth Participatory Science (YPS) project. Taught in the context of a freshman physics course at an urban public high school, this YPS project engaged students in designing solar energy systems for an African‐American community historically harmed by environmental racism. Critically evaluating curricular documents, I juxtaposed the traditional goals of physics learning with respect to definitions of community needs and assets. Simultaneously, I investigated the ways in which canonical physics knowledge dialectically interacts with interdisciplinary knowledge throughout the defining, investigating, and intervening phases of the YPS cycle. Throughout this process, I considered how physics learning provides opportunities to either reproduce or transform existing power relations within the sociopolitical and environmental schema of the community. The critical understandings constructed from this study frame what it takes to repurpose physics teaching and learning for environmental justice, specifically emphasizing the agentic pedagogical and curricular decisions teachers must negotiate to transform physics education for liberatory purposes.
The influential ambit of optimal corporate social responsibility investments on the cost of capital in Chinese private firms
Authors: Zhu Naiping , Khan Talat Mehmood , Khan Tehmina
Published: March 2024

Private firms in China are contributing immensely to the country's economic growth. However, increasing the capital cost of private firms in China is a big challenge that needs to be addressed. This study intends to examine the role of optimal corporate social responsibility (CSR) investment while lowering the cost of equity capital and debt capital in Chinese private firms. In addition, this research study reveals the moderating role of state‐owned shares in the association between CSR and private firms' capital costs. By taking a sample of Chinese private firms from 2011 to 2021, this study employs the CSR optimization method. The findings show that CSR optimization tends to reduce the cost of equity capital and debt capital in Chinese private firms. Further investigation shows that over‐investment in CSR increases the cost of capital. Moreover, an increase in state‐owned shares strengthens the negative relationship between the cost of debt capital and optimal CSR investments. The present study's findings are helpful for Chinese firms to undertake optimal CSR investment.
Vitamin D Deficiency and Atopic Dermatitis Severity in A Bangladeshi Population Living in East London: A Cross-Sectional Study
Authors: McCarthy Rebecca L. , Tawfik Soha S. , Theocharopoulos Ioannis , Atkar Ravinder , McDonald Bryan , Dhoat Sasha , Hughes Aaron , Thomas Bjorn R. , O’Toole Edel A.
Published: March 2024

Background

Atopic eczema is a common, chronic, inflammatory skin condition with considerable heterogeneity. South Asian people living in the UK frequently have low serum vitamin D3 (25(OH)D3), and those with atopic disease can present with severe eczema. The association between vitamin D deficiency and eczema severity, and the role of vitamin D supplementation in atopic eczema is inconsistent, and under-researched in people with Asian ancestry.

Objectives

This cross-sectional study investigates the association between serum 25(OH)D3 and eczema severity in a cohort of South Asian children and young adults living in London.

Methods

Eligible participants were Bangladeshi children and young adults aged 0–30 years with eczema, living in London and participating in the Tower Hamlets Eczema Assessment study. Data was collected via parent/patient self-reporting, clinical history and examination, and hospital databases. 25(OH)D3 levels were documented retrospectively, if available, from hospital databases. Eczema severity was classified by Eczema Area and Severity Index (EASI) score less than or greater than 10 (clear-mild vs. moderate-severe). Multivariate logistic regression was used to adjust for confounding factors.

Results

681 participants were included in analyses. 25(OH)D3 results were available for 49.6% (338/681), 84.3% of which had deficient or insufficient lowest 25(OH)D3. Lowest 25(OH)D3 was inversely correlated with EASI score (Spearman’s rank R2 = −0.24, p < 0.001). 26.1% (178/681) had EASI >10 and a lower median lowest and nearest 25(OH)D3. After adjustment for confounding EASI > 10 was significantly associated with a lowest 25(OH)D3 < 25 (OR 3.21, 95%CI 1.35, 8.60), use of mild-moderate potency topical steroid on the face and neck (OR 3.11, 95%CI 1.86, 5.31), calcineurin inhibitor on the face and neck (OR 2.79, 95% CI 1.26, 6.10) and potent – very potent topical steroid on the face and neck (OR2.23, 95%CI 1.02, 4.77) and body (OR 2.11, 95%CI 1.18, 3.87).

Discussion

Vitamin D plays a role in modulation of proteins required for skin barrier function and regulation of the innate immune system, suggesting 25(OH)D3 deficiency contributes to skin inflammation. This study demonstrates a relationship between 25(OH)D3 deficiency and worse eczema severity in a cohort of South Asian children and young adults.
A Search for Sars‐CoV‐2 Main Protease Inhibitors: Synthesis and Docking Study of Steroidal Dinitriles
Authors: Nikolić Andrea R. , Kuzminac Ivana Z. , Petri Edward T. , Ćelić Andjelka S. , Sakač Marija N.
Published: March 2024

Coronaviruses are continually evolving, as evidenced by the emergence of three closely related pathogenic variants over the past two decades: SARS (2002), MERS (2012), and SARS‐CoV‐2 (2019); and the appearance of many new SARS‐CoV‐2 strains during the COVID‐19 pandemic. Hence, COVID‐19 has now become a pandemic disease; with a real possibility for the emergence of new deadly SARS‐related coronaviruses. The SARS‐CoV‐2 main protease, Mpro is an attractive drug target for the development of inhibitors against SARS type and other coronaviruses because it is essential for the viral life cycle and highly conserved among a wide range of pathogenic coronaviruses. This motivated the synthesis of novel inhibitors of Mpro, which could be the basis for COVID‐19 drug development. The synthesis of new 5,6 : 16,17‐diseco and 6,7 : 16,17‐disecoandrostane 16,17a‐dinitriles is reported. In silico ADMET analyses suggest that the synthesized compounds possess drug‐like properties with no predicted toxicities. Structural similarity analyses indicates that synthesized B,D‐diseco 16,17a‐dinitrile derivatives have potential as protease inhibitors. Molecular docking simulations suggest that B,D‐diseco 16,17a‐dinitriles could inhibit substrate binding by Mpro. The present study suggests that newly synthesized androstane 5,6 : 16,17‐diseco‐5‐keto‐6‐oic acid and 6,7 : 16,17‐diseco‐6,7‐dioic acid 16,17a‐dinitriles 8 and 11 could represent a starting point for the design of Mpro inhibitors against SARS type coronaviruses.
Analysis of Ciprofloxacin‐Loaded Nanoparticles (Titania, Silica, and P(MAA‐EGDMA)) for Controlled Drug Release and Improved Antibacterial Effectiveness
Authors: Sanattalab Ehsan , Gürdağ Gülten , Sıgırcı Belgi Diren
Published: March 2024

In this study, spherical silica, titania and poly(methacrylic acid‐ethylene glycol dimethacrylate) (P(MAA‐EGDMA)) nanoparticles (NPs) were synthesized and characterized by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), dynamic light scattering (DLS), Fourier transform infrared (FTIR), thermogravimetric analysis (TGA), and UV spectroscopy methods. Ciprofloxacin (CIP) was selected as the drug sample for this study. The loading of CIP onto NPs was accomplished through different methods based on the type of NP used. Although P(MAA‐EGDMA) has higher CIP loading capacity compared to silica and titania nanocarriers, it was observed that the total release amount was less than titania NPs and a littele bit more than silica NPs. The CIP content of NPs was found to be approximately 7 % for both titania and silica, whereas it was observed to be 40 % for P(MAA‐EGDMA). P(MAA‐EGDMA)@CIP released 60ng of CIP over 18 hours, while silica@CIP released 38 ng over the same period. Titania@CIP released 600 ng within 6 hours, showing a tenfold increase compared to the other systems. Interestingly, silica@CIP did not start releasing CIP within 1.5 hours, whereas P(MAA‐EGDMA)@CIP released up to 50 % within the same timeframe. The antibacterial activities of all CIP‐delivery systems were thoroughly examined and compared against a range of bacteria including P. aeruginosa, E. coli, S. typhimurium, K. pneumonia, S. epidermidis, S. aureus, B. subtilis, B. cereus, and E. Faecalis. Combining titania with CIP resulted in a decrease in antibacterial effect in most bacteria, except for E. coli and S. Typhimurium, where it notably increased to 10 μg/mL. However, the combination showed effectiveness against other bacteria, albeit with a significant reduction compared to individual substance use. These results highlight titania‘s potential as an antibacterial agent against P. aeruginosa, with a lower MIC value compared to CIP.
Healthy Tendon Stem Cell‐Derived Exosomes Promote Tendon‐To‐Bone Healing of Aged Chronic Rotator Cuff Tears by Breaking the Positive‐Feedback Cross‐Talk between Senescent Tendon Stem Cells and Macrophages through the Modulation of Macrophage Polarization
Authors: Zhang Xuancheng , Song Wei , Liu Yang , Han Kang , Wu Yuxu , Cho Eunshinae , Fang Zhaoyi , Jiang Lianghua , Hu Yihe , Zhu Xuesong , Jiang Jia , Huangfu Xiaoqiao , Zhao Jinzhong
Published: March 2024

The re‐tear rate of rotator cuff tears (RCT) after surgical repair is high, especially in aged patients with chronic tears. Senescent tendon stem cells (s‐TSCs) generally exist in aged and chronically torn rotator cuff tendons and are closely associated with impaired tendon‐to‐bone healing results. The present study found a positive feedback cross‐talk between s‐TSCs and macrophages. The conditioned medium (CM) from s‐STCs can promote macrophage polarization mainly toward the M1 phenotype, whose CM reciprocally accelerated further s‐TSC senescence. Additional healthy tendon stem‐cells derived exosomes (h‐TSC‐Exos) can break this positive feedback cross‐talk by skewing macrophage polarization from the M1 phenotype to the M2 phenotype, attenuating s‐TSCs senescence. S‐TSC senescence acceleration or attenuation effects induced by M1 or M2 macrophages are associated with the inhibition or activation of the bone morphogenetic protein 4 signaling pathway following RNA sequencing analysis. Using an aged‐chronic rotator cuff tear rat model, it is found that h‐TSC‐Exos can shift the microenvironment in the tendon‐to‐bone interface from a pro‐inflammatory to an anti‐inflammatory type at the acute postoperative stage and improve the tendon‐to‐bone healing results, which are associated with the rejuvenated s‐TSCs. Therefore, this study proposed a potential strategy to improve the healing of aged chronic RCT.
Rational Design of NIR‐II Ratiometric Fluorescence Probes for Accurate Bioimaging and Biosensing In Vivo
Authors: Li Tuanwei , Zhang Yejun , Wu Feng , Chen Guangcun , Li Chunyan , Wang Qiangbin
Published: March 2024

Intravital fluorescence imaging in the second near‐infrared window (NIR‐II, 900–1700 nm) has emerged as a promising method for non‐invasive diagnostics in complex biological systems due to its advantages of less background interference, high tissue penetration depth, high imaging contrast, and sensitivity. However, traditional NIR‐II fluorescence imaging, which is characterized by the “always on” or “turn on” mode, lacks the ability of quantitative detection, leading to low reproducibility and reliability during bio‐detection. In contrast, NIR‐II ratiometric fluorescence imaging can realize quantitative and reliable analysis and detection in vivo by providing reference signals for fluorescence correction, generating new opportunities and prospects during in vivo bioimaging and biosensing. In this review, the current design strategies and sensing mechanisms of NIR‐II ratiometric fluorescence probes for bioimaging and biosensing applications are systematically summarized. Further, current challenges, future perspectives and opportunities for designing NIR‐II ratiometric fluorescence probes are also discussed. It is hoped that this review can provide effective guidance for the design of NIR‐II ratiometric fluorescence probes and promote its adoption in reliable biological imaging and sensing in vivo.
SafeCheck: Detecting smart contract vulnerabilities based on static program analysis methods
Authors: Chen Haiyue , Zhao Xiangfu , Wang Yichen , Zhen Zixian
Published: March 2024

Ethereum smart contracts are a special type of computer programs. Once deployed on the blockchain, they cannot be modified. This presents a significant challenge to the security of smart contracts. Previous research has proposed static and dynamic detection tools to identify vulnerabilities in smart contracts. These tools check contract vulnerabilities based on predefined rules, and the accuracy of detection strongly depends on the design of the rules. However, the constant emergence of new vulnerability types and strategies for vulnerability protection leads to numerous false positives and false negatives by tools. To address this problem, we analyze the characteristics of vulnerabilities in smart contracts and the corresponding protection strategies. We convert the contracts' bytecode into an intermediate representation to extract semantic information of the contracts. Based on this semantic information, we establish a set of detection rules based on semantic facts and implement a vulnerability detection tool SafeCheck using static program analysis methods. The tool is used to detect six common types of vulnerabilities in smart contracts. We have extensively evaluated SafeCheck on real Ethereum smart contracts and compared it to other tools. The experimental results show that SafeCheck performs better in smart contract vulnerability detection compared to other typical tools, with a high F‐measure (up to 83.1%) for its entire dataset.
The combined determinations of multiple veterinary drugs in animal foods by high‐performance liquid chromatography‐diode array detection and their application in drug residue investigation
Authors: Liu Ruihua , Kong Zhengqiao , Wu Dan , Yu Jiasi , Liu Ping
Published: March 2024

The application of veterinary drugs has brought great economic benefits, but its unreasonable application has also caused a series of safety problems. The study aimed to establish methods that will provide accurate quantitative information for the monitoring of veterinary drug residues in animal‐derived foods. Selecting nine veterinary drugs in four categories, the study combined quick, easy, cheap, effective, rugged, and safe technology with high‐performance liquid chromatography (HPLC) to detect multiple veterinary drugs in animal foods simultaneously. The study established two rapid, efficient, and accurate HPLC‐diode array detection methods to achieve the simultaneous detection of nitroimidazoles and β‐adrenergic agonists, and the simultaneous detection of benzimidazoles and diethylstilbestrol. The limit of detection of the former was 1.36–2.05 μg/kg and the latter 0.42–0.72 μg/kg. Then the two methods were used to detect veterinary drug residues in 297 animal foods from 10 categories to investigate the drug residues. For the seven banned drugs, the detection rates ranged from 1.35% to 7.41%. And for the two restricted drugs, the over‐standard rates were 4.38% and 0.00%.
RETRACTED: MiR‐375 impairs breast cancer cell stemness by targeting the KLF5/G6PD signaling axis
Authors: Chen Haitao , Hou Shanshan , Zhang Hongwei , Zhou Bing , Xi Huifang , Li Xiaofang , Lufeng Zheng , Guo Qianqian
Published: March 2024

Recurrence of breast cancer may be due to the presence of breast cancer stem cells (BCSC). Abnormal tumor cell growth is closely associated with increased reactive oxygen species (ROS) and disruption of redox homeostasis, and BCSCs exhibit low levels of ROS. The detailed mechanism between the low levels of ROS in BCSCs and their maintenance of stemness characteristics has not been reported. A growing number of studies have shown that tumor development is often accompanied by metabolic reprogramming, which is an important hallmark of tumor cells. As the first rate‐limiting enzyme of pentose phosphate pathway (PPP), the expression of G6PD is precisely regulated in tumor cells, and there is a certain correlation between PPP and BCSCs. MiR‐375 has been shown to inhibit stem cell‐like properties in breast cancer, but the exact mechanism is not clear. Here, KLF5, as a transcription factor, was identified to bind to the promoter of G6PD to promote its expression, whereas miR‐375 inhibited the expression of KLF5 by binding to the 3′UTR region of KLF5 mRNA and thus reduced the expression of G6PD expression, inhibits PPP to reduce NADPH, and increases ROS levels in breast cancer cells, thereby weakening breast cancer cell stemness. Our study reveals the specific mechanism by which miR‐375 targets the KLF5/G6PD signaling axis to diminish the stemness of breast cancer cells, providing a therapeutic strategy against BCSCs.
Synthesis, spectroscopic characterization and biological studies of trivalent transition metal ion prompted macrocyclic Schiff base complex
Authors: Sangwan Vikas , Singh D. P.
Published: March 2024

Two new macrocyclic Schiff base complexes of trivalent transition metal ion of Cr(III) and Fe(III) in their nitrates form have been synthesized and fully characterized by elemental analysis and spectroscopic techniques, namely, IR, UV, ESI‐MS and ESR. The route of template methodology was adopted for the synthesis of the complexes. The electrolytic nature of the complexes is elucidated with the help of molar conductance measurements. The magnetic moments values give a prediction regarding the presence of unpaired electron. Antimicrobial studies of the synthesized complexes have been carried out for the evaluation of their biological efficacies as potential antimicrobial agents.
The epoxidized linseed oil as a secondary plasticizer in PVC processing
Authors: Thuy Nguyen Thi , Duc Vu Minh
Published: March 2024

By replacing the 10 php (parts per hundred polyvinylchloride) DOP plasticizer with the epoxidized linseed oil (ELO) in polyvinylchloride (PVC) processing, a slight increase in tensile properties was observed. The water, 30 wt.% acetic acid, 10 wt.% KOH solution, sunflower oil and n‐hexane were used as media to evaluate the leaching characteristic. The sample weight increased slightly after soaking in water, 30 wt.% acetic solution and decreased slightly in 10 wt.% KOH solution, reduced sharply and strongly in sunflower oil and n‐hexane. The presence of ELO has shown an improvement in migration, volatilization characteristics and thermal property of PVC. The positive effect of ELO as a secondary plasticizer was most evident after 72 hours of soaking in n‐hexane because the shore A hardness of ELO plasticized PVC sample increased by 12 % while PVC sample without ELO was blistered and its shore A hardness could not be measured. The scanning electron microscopy was used to study the morphology of fractured surface the samples after immersing in n‐hexane.
Determination of aflatoxin B1, B2, G1, G2 in cashew nut by UHPLC‐HRMS
Authors: Giang Le Truong , Thien Tran Lam Thanh
Published: March 2024

In recent years, Vietnam is the leading country in exporting cashew to global market. However, tropical climate is a significantly favorable condition for fungus to develop when the cashew is not properly stored. For this reason, mycotoxin contaminations are likely to occur on the cashew, especially aflatoxin. By utilizing solid phase extraction technique with Oasis HLB stationary phase and optimizing conditions of sample preparation, the toxins such as aflatoxin B1, B2, G1 and G2 were extracted and concentrated from cashew samples. Simultaneously, with the assistance of ultra high‐performance liquid chromatography coupled with high resolution mass spectrometry detector, this study has successfully fabricated concurrent analysis method of aflatoxin compounds with high sensitivity and selectivity. The method established in this study manifested a high linear range (R2 ≥ 0.995), sensitivity (limits of detection ranged from 0.05 to 0.10 μg/kg and limits of quantification varied from 0.5 to 1.0 μg/kg), adequate recovery (96.5‐109.4 %), and good repeatability (intra‐day precision in the range of 2.2‐6.1 % and inter‐day precision in the range of 3.6‐13.3 %). In particular, this method has been successfully applied for the determination of 4 aflatoxins in real cashew nut samples.
Secondary metabolites from a marine sponge‐associated fungus Xenomyrothecium sp. IMBC‐FP2.11
Authors: Quang Tran Hong , Huong Pham Thi Mai , Ngan Nguyen Thi Thanh , Hanh Tran Thi Hong , Cuong Nguyen Xuan , Nam Nguyen Hoai , Van Minh Chau
Published: March 2024

In the study, seven compounds were isolated from an EtOAc extract of the marine‐derived fungal strain Xenomyrothecium sp. IMBC‐FP2.11, including (3R,4R)‐4‐hydroxymellein (1), (3R,4S)‐4‐hydroxymellein (2), trans‐3,4‐dihydro‐3,4,8‐trihydroxynaphtalen‐1(2H)‐one (3), (3S)‐6‐hydroxy‐8‐methoxy‐3,5‐dimethyl‐isochroman (4), 8‐hydroxy‐6‐methyl‐9‐oxo‐9H‐xanthene‐1‐carboxylate (5), TMC‐256A1 (6), and ω‐hydroxyemodin (7). Their chemical structures were elucidated by detailed analysis of the 1D and 2D NMR and mass spectra as well as comparison with those of the previously reported compounds. This is the first case to report the chemical profile of a Xenomyrothecium fungal strain.
Anti‐inflammatory metabolites from a marine sponge‐associated fungus Aspergillus sp. IMBC‐FP2.05
Authors: Quang Tran Hong , Vien Le Thi , Anh Le Ngoc , Ngan Nguyen Thi Thanh , Hanh Tran Thi Hong , Cuong Nguyen Xuan , Nam Nguyen Hoai , Van Minh Chau
Published: March 2024

Chemical investigation of the marine sponge‐derived fungal strain Aspergillus sp. IMBC‐FP2.05 resulted in isolation of five compounds, including JBIR‐74 (1), homogentisic acid (2), methyl (2,5‐dihydroxyphenyl)acetate (3), 3‐chloro‐2,5‐dihydroxybenzyl alcohol (4), and p‐hydroxybenzaldehyde (5). Their chemical structures were identified by comprehensive analyses of the 1D and 2D NMR and mass spectra in comparison with the previously reported data. Furthermore, nitric oxide (NO) inhibitory effects of the isolated compounds in LPS‐stimulated RAW264.7 cells were also reported.
Synthesis and structural characterization of N‐methylanthraniloyl‐ (4‐ethylthiosemicarbazide) and its Cu(II) trinuclear complex
Authors: Thuy Pham Thu , Dinh Le Canh , Huy Nguyen Gia , Oanh Pham Thi Ngoc , Thang Pham Chien
Published: March 2024

The new ligand N‐methylanthraniloyl(4‐ethylthiosemicarbazide) H2L was synthesized by the treatment of anthranilic acid hydrazide and ethyl isothiocyanate in absolute ethanol. The composition and structure of H2L were characterized by spectroscopic methods such as ESI MS, IR, 1H and 13C{1H} NMR spectroscopy as well as SCXRD. Reaction of H2L and mixture of [Cu(MeCN)4](PF6) and o‐phenanthroline in methanol gave rise to a cationic Cu(II) trinuclear complex, which could be separated as PF6– salt with the composition of [Cu3(L)2(o‐phen)2](PF6)2. The spectroscopic and X‐ray crystallographic data analyses demonstrated that H2L deprotonates hydrazide protons and the resulting dianion {L2–} acts as bridging ligand of which most potential donor atoms form stable chelates with Cu(II) ions. In particular, the central Cu(II) ion coordinates with two dianions {L2–} via (O, N2) donor sets, thereby adopting a distorted square planar coordination mode with trans configuration. While each of two terminal Cu(II) ions is five‐coordinate with the coordination sphere composed of (S, N1, Namine) and (N,N) donor sets belonging {L2–} and o‐phenanthroline, respectively.
Lignans from the stems of Clerodendrum inerme Gaertn.
Authors: Minh Tran Thi , Thuong Nguyen Thi Minh
Published: March 2024

The polar constituents of Clerodendrum inerme collected from coastal area of Thai Binh province were investigated. From the water soluble fraction of the C. inerme stems, four lignan and lignan glucosides (1‐4) along with a phenolic glucoside (5) were isolated. Their chemical structures were established as icariol A2 (1), syringaresinol‐4‐O‐β‐glucopyranoside (2), lariciresinol‐4‐O‐β‐D‐glucopyranoside (3), dehydrodiconiferyl alcohol‐4‐O‐β‐D‐glucopyranoside (4) and leonuriside A (5) by NMR spectroscopic and mass spectrometric analysis as well as comparison with those reported in the literature. Compounds 1, 2, 3 and 5 were found for the first time from this plant.
Methylene blue adsorption of chitosan/nano‐TiO2 films prepared by 3D printing method
Authors: Dung Hoang Tran , Chinh Nguyen Thuy , Lu Le Trong , Hoang Thai
Published: March 2024

This paper presents the preparation of chitosan/nano‐TiO2 films with different contents of nano‐TiO2 by 3D printing technology. The ink solution for printing was prepared by dissolution of chitosan in 1 % acetic acid before dispersing nano‐TiO2 in the chitosan solution by ultrasonic method. The investigated nano‐TiO2 contents were of 3 and 5 wt.% in comparison with chitosan weight. The obtained chitosan/nano‐TiO2 films were characterized by infrared spectroscopy (IR), field emission scanning electron microscopy (FESEM), and ultraviolet‐visible spectroscopy (UV‐Vis) methods. Besides, the water adsorption ability and moisture content in these films were also evaluated. The chitosan/nano‐TiO2 films were used for adsorption of methylene blue in aqueous. The research results confirmed that the chitosan/nano‐TiO2 films are promising adsorbents for removal of coloring matter.
Study on synthesizing silver nanoparticles by using Muntingia calabura leaf extract: Insights from experimental and theoretical studies
Authors: Trung Truong Tan , Van Cuong Ngo , Hong Le Thi Thu , Quynh Nguyen Thi Nhu , Van Du Cao
Published: March 2024

In this paper, a novel approach for green chemistry was employed for the synthesis of silver nanoparticles (AgNPs) using aqueous leaf extracts of Muntingia calabura (M. calabura). Characterization of AgNPs such as the shape, size, morphology, and stability was made using Ultraviolet‐Visible (UV‐Vis) spectroscopy, and transmission electron microscopy (TEM). The results showed a surface plasmon band around 427 nm when analyzed via UV‐Vis spectroscopy, indicated the silver particles of nano dimensions. The TEM study revealed that spherical shapes sizing from 6 to 16 nm with the average size was 11±5 nm were observed for the obtained sample. The density functional theory (DFT) studies reveal that the quercetin (one of the flavonoids presented in M. calabura) is responsible for behaving as a reducing agent for the reduction of Ag+ ion into Ag0 under different physicochemical conditions.
DFT calculations on three 2,3‐dihydrobenzofuran linked chalcones: Structural, HOMO‐LUMO and spectroscopic (UV‐Vis and IR) interpretation
Authors: Adole Vishnu A.
Published: March 2024

Three chalcones with a 2,3‐dihydrobenzofuran linkage were analyzed by applying the density functional theory (DFT) and B3LYP approach with the 6‐311G(d,p) basis set in this report. Spectroscopic and theoretical analyses were used to examine the structures of these three chalcones. The chalcone molecules' HOMO‐LUMO energy was determined. Chemical reactivity parameters and molecular electrostatic surface potential (MESP) plots were obtained to gain useful insight into the distribution of charge density. The HOMO–LUMO gap of all three chalcones were calculated and discussed. The (E)‐3‐(2,3‐dihydrobenzofuran‐5‐yl)‐1‐phenylprop‐2‐en‐1‐one (DBPP) is discussed in detailed for the theoretical and experimental correlation. The captodative phenomenon appears to be the most polar molecule, with a dipole moment of 8.53 Debye. The decreased bandgap indicates that charge transfer occurs within the DBNPP molecule. When the solvent polarity is changed to DCM and DMSO from the gas phase, there is an event of a hyperchromic shift. The C19 carbon atom has the highest negative atomic charge while C21 is the carbon with the largest positive charge. From the MESP plots, we can conclude that the most electropositive region is located over the hydrogen atoms of the five‐membered ring, and the electronegative region is located over the oxygen atoms. Time‐dependent density functional theory (TD‐DFT) using B3LYP functional with 6‐311G(d,p) as basis set were used for the electronic absorption study in gas phase, dichloromethane and dimethyl sulfoxide. The UV‐Vis absorption peaks and fundamental vibrational wavenumbers were calculated and a good agreement between observed and theoretical results has been achieved.
Green synthesis of Ce‐doped ZnO nanoparticles using Hedyotis capitellata Leaf extract for efficient photocatalytic degradation of Methyl Orange
Authors: Nguyen‐Hong Yen‐Xuan , Luu Thi Viet Ha , Doan Van‐Dat
Published: March 2024

This work presents a green route to synthesize single phase Ce‐doped ZnO nanoparticles using Hedyotis capitellata leaf extract (HC‐Ce@ZnO) as an effective reactant. The phase composition and crystalline nature of HC‐Ce@ZnO with various weight% Ce‐doping concentrations were examined by X‐ray diffraction (XRD) method. The organic functional groups that played the key role in the transformation of Zn2+ into ZnO were recognized by Fourier‐transform infrared spectroscopy (FT‐IR). The transmission electron microscopy (TEM) image revealed that HC‐Ce@ZnO nanoparticles were mainly spherical with the diameter of 2‐6 nm. The biosynthesized HC‐Ce@ZnO nanoparticles were then applied for the treatment of methyl orange (MO) using UV‐Vis measurement. It's been found that Ce3+ ions were easily incorporated into ZnO crystal lattice to form single crystals of Ce@ZnO. The optimal 1 %Ce‐doped ZnO nanoparticles can remove 92 % MO within 240 min under irradiation of visible light. The study on photocatalytic degradation kinetics showed that the reaction has pseudo first‐order nature with the rate constant k = 0.0133 min‐1.
A comprehensive review on chromium chemistry along with detection, speciation, extraction and remediation of hexavalent chromium in contemporary science and technology
Authors: Mondal Monohar Hossain , Begum Wasefa , Nasrollahzadeh Mahmoud , Ghorbannezhad Fatemah , Antoniadis Vasileios , Levizou Efi , Saha Bidyut
Published: March 2024

The presence of hexavalent chromium in our environment is a potential mutagenic hazard for the whole animal and plant kingdom including humans. In the last five decades numerous physico‐chemical and bio‐chemical mechanisms have been proposed for the detection of chromium speciation, extraction and remediation of the same from contaminated environmental samples. This present review is dedicated on the discussions of detection of chromium speciation in various environmental samples viz., industrial wastes, workplace particulates, plants, aquatic animals and food samples. Different physical, chemical and biological analytical methods have been presented. Mechanisms of such detection, extraction/remediation techniques are also emphasised. The aim of this article is to comprehend the contemporary advancement in this field that may be applied from lab to industry levels.
Roles of H2O in comparison with H2S in the complexes of thioaldehydes and hydrogen chalcogenides
Authors: Hoang Ngo Vuong , Nhung Ngo Thi Hong , Tri Nguyen Ngoc , An Nguyen Truong , Duong Thuc‐Huy , Trung Nguyen Tien
Published: March 2024

Twenty stable geometrical structures of the interactions between RCHS and nH2Z (R = H, F, Cl, Br, CH3; n = 1‐2; Z = O, S) were investigated. Addition of H2O or H2S molecule into the RCHS∙∙∙1H2Z system induces an enhancement of the stability and cooperative capacity of the complexes investigated, in which it is ca. 2 times more stable for adding H2O compared to H2S. The substitution of one H atom in HCHS by both halogen (F, Cl, Br) and CH3 group causes an increase in the larger stability of RCHS∙∙∙H2Z in comparison with HCHS∙∙∙H2Z. The stability of complexes follows the order of H < F ~ Cl ~ Br < CH3 substituted‐derivatives. Strength of hydrogen bonds decreases in the sequence of O–H∙∙∙O > O–H∙∙∙S > S–H∙∙∙S > Csp2–H∙∙∙O > Csp2–H∙∙∙S. Besides, the O/S–H∙∙∙S and O–H∙∙∙O red‐shifting hydrogen bonds are mainly governed by an increase in the population of the σ*(Csp2−H) and σ*(O/S−H) orbitals. Meanwhile, the Csp2–H blue shift in Csp2–H∙∙∙O/S hydrogen bonds are determined by both the decrease in the electron density of the σ*(Csp2−H) orbitals and the lowering in s‐character percentage of Csp2 in Csp2‐H bonds.
Synthesis and characterization of poly(3‐thiophene acetic acid) upon binding by cationic groups
Authors: Linh Nguyen Ngoc , Thi Tran Minh , Linh Duong Khanh , Huong Vu Thi , Hung Ha Manh , Oanh Doan Thi Yen , Trung Vu Quoc
Published: March 2024

Structure, surface properties and morphology of a regioirregular conjugated poly(3‐thiophene acetic acid) (PTAA) and four polyelectrolytes based onPTAAwith various cations were studied by using FT‐IR,1H‐NMR spectroscopy and SEM. The properties ofPTAAand its polyelectrolytes depend on the unique combination of a hydrophobic backbone and hydrophilic ionic side groups. The thermal stability, fluorescence and conductivity properties were investigated. These polymers exhibited fluorescence emissions at about 565 nm characterized for the π‐conjugated polythiophene. Undoped polymers have a better conductivity than previous polymers.
Antioxidant and Anticancer Activities of Manilkara zapota and Lansium domesticum Leaves Coupled with Metabolomics analysis using Molecular Networking
Authors: Ramos Angelica , Alvarez Michael Russelle , Delica Kimberly , Moreno Patrick Gabriel , Abogado Rowell , Grijaldo Sheryl Joyce , de Juan Florence , Deniega Froila Marie , Basingan Manolo , Radivas Cherry Mae , Heralde Francisco , Completo Gladys Cherisse , Padolina Isagani , Nacario Ruel
Published: March 2024

Several natural products are known to have anticancer activity. This study explores the potential use of different extracts of Lansium domesticum and Manilkara zapota leaves as an anticancer drug by testing its anti‐oxidative and cytotoxic properties. Furthermore, metabolomics of these plant extracts was performed to characterize them. Leaves of M. zapota and L. domesticum were air‐dried for three days and then sequentially extracted with hexane, ethyl acetate, and methanol. A portion of each leaf extract was subjected to clean‐up procedure by solid‐phase extraction using polyamide resins to remove tannins and liquid‐liquid extraction using hexane to remove chlorophyll. The resulting leaf extracts were screened for antioxidant and anticancer activities. The DPPH assay for antioxidant activity showed that the crude methanol extract of M. zapota had the highest total antioxidant activity of 3.523 ± 0.382 mmol Trolox equivalents/g. The MTT assay for measuring anticancer activity against human lung adenocarcinoma cells gave the highest percent growth inhibition (70 ± 1 %) for the crude hexane extract of L. domesticum. A decrease in antioxidant and anticancer activities was observed for the extracts after the clean‐up procedure. Phytochemical tests and LC‐MS/MS metabolomics using GNPS suggest that the methanol extract of M. zapota contains flavonoids, steroids, sugars, anthraquinones, anthrones, coumarins, phenols, and tannins. In contrast, the hexane extract of L. domesticum contains flavonoids, steroids, sugars, anthraquinones, indoles, triterpenes, and sterols. The extracts of both M. zapota and L. domesticum serve as promising antioxidant and anticancer agents. Metabolite networking using mass spectrometry shows the phytochemical content of these extracts.
Investigations into the electronic properties of lorlatinib, an anti‐cancerous drug using DFT, wavefunction analysis and MD simulations
Authors: Al‐Otaibi Jamelah S. , Mary Y. Sheena , Mary Y. Shyma , Thirunavukkarasu M.
Published: March 2024

Lung cancer is a kind of cancer with high morbidity and mortality rate, making it one of the most dangerous tumors to humanity's health and existence. Wavefunction dependent reactivity analysis, atom in molecule (AIM) and molecular dynamics (MD) simulations of lorlatinib (LTB) are reported in the present work. Electrophilicity index predicts the biological activity. The bond ellipticity describes the anisotropy of the curvature of electron density and its maximum value is at C15‐H32. Chemical environments, N8 = C26‐N7, C18 = C30 ≡ N9, and C15 = C14‐C13 are found to be highest delocalization regions. The complexes were stable throughout the simulation and amino acids involved in bringing the overall structural deviation are explored.
Determination of tetracycline residue in pork by differential pulse voltammetry using activated glassy carbon electrode
Authors: Huong Nguyen Thu , Hien Nguyen Thi Minh , Thuy Tran Thi Diem , Ai Nguyen Thi Ngoc , Anh Le Diep Quoc
Published: March 2024

A simple and environment‐friendly electrochemical method using activated glassy carbon electrodes (aGCE) for monitoring the residues of tetracycline in pork samples was developed. A two‐step pretreatment procedure was established for activating the glassy carbon electrode surface, including mechanical polishing and electrochemical pretreatment. In the supporting electrolyte solution of 0.2 M sodium sulfate (at pH 2.5), the electrochemical response of TC was characterized by two irreversible oxidation peaks at +0.95 V and +1.05 V vs. saturated calomel electrode. The differential pulse voltammetry (DPV) current density response of aGCE for TC exhibited two distinct linear response ranges of 2.0×10‐6÷1.6×10‐5 M and 1.6×10‐5÷8.3×10‐5 M. The limit of detection and the limit of quantitative was 0.23×10‐6 M and 0.77×10‐6 M, respectively. Liquid‐liquid extraction has been applied for the determination of TC residues in pork samples sold in the market of Ho Chi Minh City, Vietnam, with the percentage recoveries of TC varying from 80.1 % to 88.0 % (n = 5). The obtained results of the introduced electrochemical method were in good agreement with the results of high‐performance liquid chromatography‐mass spectrometry (HPLC‐MS/MS).
Synthesis of some pyrrolidine‐2,5‐dione derivatives with biological activity against Gram‐negative bacteria
Authors: Lauro Figueroa‐Valverde , Francisco Díaz‐Cedillo , Marcela Rosas‐Nexticapa , Maria López‐Ramos , Virginia Mateu‐Armad Maria , Magdalena Alvarez‐Ramirez , Tomas Lopez‐Gutierrez
Published: March 2024

There are several methods for the preparation of pyrrolidine‐2,5‐dione analogs, however, some protocols use some reagents which require special conditions such as different pH or higher‐temperatures. The aim of this investigation was to prepare some pyrrolidine‐2,5‐dione derivatives (compounds 4 to 8) from N‐hydroxysuccinimide using some chemical tools to evaluate their biological activity against some bacteria strains. Chemical structure was confirmed with both 1H and 13C NMR spectroscopic techniques. Besides, the effects produced by 4 to 8 on both Gram‐negative and Gram‐positive bacteria was evaluated using minimum inhibitory concentration method. The results indicate that protocols used for synthesis of pyrrolidine‐2,5‐dione analogs do not require special conditions. Other data displayed those compounds 6 to 8 decreased the growth Gram‐negative bacteria compared with 4 and 5. In conclusion, this research is reported a facile method for the synthesis of pyrrolidine‐2,5‐dione derivatives which could be good candidates as antibacterial compounds.
Fabrication of metal loaded activated carbon by carbothermal functionalization of agriculture waste via ultrasonic‐assisted technique for dye adsorption
Authors: Trung Nguyen Duc , Minh Tran Thi , Khanh Dang Quoc , Tue Nguyen Ngoc
Published: March 2024

This research utilized Acacia crassicarpa bark activated carbon and copper‐loaded activated carbon to generate a low‐price adsorbent material. The ACAC‐6 was created via going through multiple carbonization and chemical procedures. Cu‐ACAC‐6 was made by impregnating ACAC‐6 with copper ions. The produced substance was characterized analytically. The loading of cupric nitrate onto activated carbon was successful. Both ACAC‐6 and Cu‐ACAC‐6 were then investigated in a batch adsorption system under ideal experimental circumstances, such as initial concentration, temperature, and adsorbent mass. Adsorption follows a pseudo‐first‐order model with R2 = 0.9802. The Langmuir isotherm model has been found to be the best correlation model in fitting with the data. The copper loaded activated carbon show a betterment in processing the two dyes. The Langmuir isotherm projected maximum adsorption capacities for Cu‐ACAC‐6 materials of 47.39 mg/g for MO and 60.96 mg/g for MB, which is greater than that of ACAC‐6.
PDMS – Coated pomelo peel carbon aerogel: Synthesis, characterization, and oil removal application
Authors: Phat La Nam , Tu Phan Minh , Lin Tong Hoang , Buu Ton That , Tram Trinh Dinh Thao , Son Tran Thanh , Tien Dao Xuan , Tuyen Nguyen Ngoc Kim , Son Nguyen Truong , Oanh Doan Thi Yen , Phong Mai Thanh , Hieu Nguyen Huu
Published: March 2024

Raw pomelo peel (RPP) has been widely reported as a potential eco‐friendly adsorbent due to its porous structure. In this work, pomelo peel‐derived carbon aerogel (PCA) was synthesized by approaching simple methods: Hydrothermal treatment and freeze‐drying technique. The obtained PCA from RPP exhibits an abundance of honeycomb‐like open porous structure, ultralight density of 0.03 g/cm3, and porosity of 99.23 %. To enhance the hydrophobicity and selectivity for removal of oil in water, PCA was coated with Poly(dimethylsiloxane) (PDMS) by facile dip‐coating method. The as‐prepared hydrophobic PDMS‐coated pomelo peel carbon aerogel (PDMS/PCA) exhibits the water resistance ability via the water contact angle of 101.6 o and good adsorption capacity of 11.672 and 7.691 g/g for used cooking and lubricating oils, respectively. Furthermore, the pseudo‐first‐order and pseudo‐second‐order models were approached to predict the adsorption behavior of PDMS/PCA for both used cooking and lubricating oils. The obtained results illustrate the potential application of RPP for synthesizing eco‐friendly and low‐cost adsorbents for the removal of oil in water.
Facile fabrication of nanocomposites of nickel hydroxide and copper oxide for high performance asymmetric supercapacitors
Authors: Hang Le Thi Thu , Thuy Hoang Thi Bich
Published: March 2024

Nowadays, supercapacitors have been among popular electrochemical energy storage devices in modern life. Plenty of active materials have been investigated and developed to meet the increasing demands for high‐performance supercapacitors. In this study, we introduce a facile chemical synthesis route in combination with a subsequent calcination process to fabricate the oxide/hydroxide composites of nickel (Ni) and copper (Cu) as active materials for high‐performance asymmetric supercapacitors. Effects of the composition and calcination temperatures on the electrochemical performance of supercapacitors have been investigated systematically. The optimum composite was the sample calcinated at 200 °C and containing nickel hydroxide and copper oxide with a molar Ni/Cu ratio of 1:1. At a specific current of 1 A.g‐1 the composite electrode could offer a high specific capacitance of 684.2 F.g‐1. In addition, at the higher specific current of 3 A.g‐1 the electrode supplied a relatively high specific capacitance of 526.3 F.g‐1 for the first cycle. After long‐term test of 1000 cycles of charge‐discharge, the electrode maintained 91.7 % of the initial specific capacitance. This suggests the high application potential of synthesized optimum composite for supercapacitors.
High activity and stability of nano‐nickel catalyst based on LaNiO3 perovskite for methane bireforming
Authors: Tri Nguyen , Anh Nguyen Phung , Long Do Ba , Cuong Hoang Tien , Van Nguyen Thi Thuy , Loc Luu Cam
Published: March 2024

In this study, a nano‐nickel Ni0 catalyst for bireforming of methane was in‐situ synthesized from the sol‐gel fabricating LaNiO3 perovskite. The various physico‐chemical methods such as powder X‐ray diffraction (XRD), energy‐dispersive X‐ray spectroscopy (EDS), H2 temperature‐programmed reduction (H2‐TPR), scanning electron microscopy (SEM), and CO2 temperature‐programmed desorption (CO2‐TPD) were used for characterization of the obtained samples. The coke accumulation was investigated via the temperature‐programmed oxidation (TPO) method. The results confirmed the formation of both LaNiO3 perovskite structure and a small amount of NiO with high crystallinity. H2‐TPR profiles and XRD patterns showed that the highly dispersed nanocrystals Ni0 on La2O3 catalysts were formed by in‐situ reduction of LaNiO3 at 800°C for as short as 1 hour or more. The crystal sizes of Ni0 and La2O3 crystals are in the range of 17‐18 nm and 18‐19 nm, respectively. The activity of the catalysts was studied in bireforming of methane by the micro‐flow method in a temperature range of 550‐800°C. LaNiO3‐based catalyst showed excellent performance for methane bireforming reaction. Of which, LaNiO3 sample calcined at 800°C for 1.5 hours and reduced at 800°C for 1.5 hours showed the highest activity when it reached the CH4 conversion of 87% and abnormally high CO2 conversion, reaching 97 % at 700°C and approximately 100 % at 800°C with an ideal H2/CO ratio of approximately 2. At 800°C, the activity of the most outstanding catalyst remained stable for 100 hrs thanks to the high sintering resistance of excellent dispersion of Ni in LaNiO3 lattice and high coke tolerance of the catalyst. The catalytic activity remained stable even when the amount of inert γ‐carbon reached 8.58 mgC/gcat.