bluuebunny/crossref_metadata_2025_split huggingface dataset:
N, N’‐Disubstituted Benzimidazolium Salts: Synthesis, Characterization, Micromolar Detection of Fe(III) ions in Aqueous system, Biological Evaluation and Molecular Docking Studies
Authors: Sharma Himshikha , Chaudhary Shweta , Nirwan Sonam , Kakkar Rita , Liew Hui Shan , Low May Lee , Mai Chun‐Wai , Hii Ling‐Wei , Leong Chee‐Onn , Daisy Milton Marilyn 
Published: December 2022

AbstractA series of dicationic N, N’‐disubstituted benzimidazolium salts with Br− and PF6− as the counter anions were synthesized in 75–98 % yields. The single crystal X‐ray diffraction studies of one of the benzimidazolium salts confirmed the structure of these dicationic compounds. These salts exhibited a selective “turn‐off” fluorescence response toward Fe3+ ions in aqueous solution over the other competitive metal ions such as Ag+, Al3+, Ba2+, Ca2+, Co2+, Cr3+, Cu2+, Fe2+, K+, Mg2+, Na+, Ni2+, Pb2+, and Zn2+. Upon addition of 5 equivalents Fe3+ ions, emission intensity was quenched by 94–99 % in pure aqueous media. Detection limits for all probes with Fe3+ ions were found in micromolar range. Further, drug combination analysis was conducted by evaluating the combinatorial treatment effects of two benzimidazolium salts with doxorubicin on breast cancer cells using the Chou‐Talalay method and the Highest Single Agent (HSA) model, and it was found that these compounds showed synergism with doxorubicin. Further, molecular docking studies revealed the best docking score (−6.11) for one of the benzimidazolium salts, and explained its binding affinity with checkpoint kinase 2 (chk2) protein.
Two‐Dimensional MXenes for Energy Storage: Computational and Experimental Approaches
Authors: Saharan Sunita , Ghanekar Umesh , Meena Shweta 
Published: December 2022

AbstractTwo‐dimensional (2D) MXenes (transition metal carbides and nitrides) have gained immense attention in energy storage applications due to their tunable surface properties, broad adsorption (Ultra violet to Near infrared) ability, specific layered structure, superior spin‐orbit coupling, etc. Various structures of MXenes (2D layers to quantum dots) have been studied with mechanical, thermal, optical, and electronic properties. So far, MXenes are mainly reported with experimental studies, and limited with simulation studies. Now, a trend of combined experimental and simulation studies has evolved, but there are only few such examples in the literature. We have also noticed a lack of comprehensive discussion/or report on multifunctionality of 2D MXenes. Here in this article, we have reviewed not only a basic design of 2D MXenes, but also addressed their multifunctionality with their advantages and disadvantages. Various experimental and theoretical studies of 2D MXenes have also been discussed in this review. A convincing perspective of surface engineered MXenes at nanoscopic and elemental levels have been covered comprehensively.
Roles of Molecular Structure in the Catalytic Cracking of n‐Heptane, Methylcyclohexane and Cyclopentene over HZSM‐5 Zeolites
Authors: Qiao Huimin , Ma Zhenzhou , Hou Xu , Chen Bochong , Huang Jing , Yuan Enxian , Cui Tingting 
Published: December 2022

AbstractCatalytic cracking technology is an important candidate for the crude‐to‐chemicals, which is promising to convert oil into chemicals by a clean and efficient way. n‐Heptane, methylcyclohexane and cyclopentene catalytic cracking over HZSM‐5 zeolites were studied at 320–550 °C under atmosphere, and a particular attention was paid to the effects of reaction temperature and time on stream. The cracked gas was analyzed by an online gas chromatograph, and the spent HZSM‐5 zeolites were characterized by TG, N2 physisorption and NH3‐TPD. It provided detailed information about the conversion, product distribution, coke formation and catalyst deactivation. Furthermore, the roles of molecular structure in the reaction network were discussed based on the carbenium ion mechanism. It was found that the protolytic cracking and hydride transfer was favored by n‐heptane due to the linear structure; the demethylation, protolytic ring‐opening and protolytic dehydrogenation was favored by methylcyclohexane due to the methyl group and cyclic structure; the protonation and oligomerization was favored by cyclopentene due to the cyclic and C=C structure. This made a significant difference on the catalytic performance: The activity was in a descending order of n‐heptane≈cyclopentene>methylcyclohexane. Alkane formation was in a descending order of n‐heptane>methylcyclohexane>cyclopentene. Aromatic and coke formation were in a descending order of cyclopentene>methylcyclohexane>n‐heptane.
Regioselective Benzylation of Quinoxalin‐2(1H)‐ones with Methylarenes Under Transition‐Metal‐Free Conditions
Authors: Shi Yuan , Hou Jiahao , Wang Kai , Ding Yuxin , Wei Tingting , Yu Zhichen , Su Weike , Xie Yuanyuan 
Published: December 2022

AbstractA simple protocol of metal‐free C−H benzylation on the C3 position of quinoxalin‐2(1H)‐ones via the oxidation of Di‐tert‐butyl peroxide (DTBP) was developed. This environmentally friendly transformation showed high efficiency and well‐tolerated functionalization, providing the desired products in moderate to good yields. The radical mechanism was confirmed by control experiment as well.
Electrochemical Analysis of Food additive Vanillin using Poly (Aspartic Acid) Modified Graphene and Graphite composite Paste Sensor
Authors: Prinith Nambudumada S. , Manjunatha Jamballi G. , Albaqami Munirah D. , Mohamed Tighezza Ammar , Sillanpää Mika 
Published: December 2022

AbstractVanillin (VLN) is generally used in bakery food products as an aroma enhancer and flavoring agent. Hence it is important to develop a powerful and rapid tool to monitor the concentration of VLN levels concerning food safety. In this paper, a simple sensor was proposed by electropolymerized Aspartic acid (ASP) modified on Graphene and Graphite composite paste electrode (PASPMGN/CPE) for the detection of VLN by differential pulse voltammetry (DPV). PASPMGN/CPE ranked to have high electrocatalytic kinetics towards electro‐oxidation of VLN, in optimized conditions. The electrochemical process of VLN is portrayed to be irreversible and adsorption‐controlled kinetics by the cyclic voltammetry (CV) method. The surface features were studied using Field Emission Scanning Electron Microscopy (FE‐SEM), Energy Dispersive X‐ray Spectroscopy (EDX), Electrochemical Impedance Spectroscopy (EIS) and CV. From DPV results, the oxidative peak current showed linear growth toward the concentration of VLN ranging from 1.0 μM to 15.0 μM with a limit of detection and quantification of 4.85 μM and 16.2 μM. The modified sensor attained to be highly selective with common possible interferents. PASPMGN/CPE was efficient in detecting VLN in vanilla pods, essence and bakery product samples.
Magnetic Dispersive Solid‐Phase Extraction Using Toner Powder for Trace Determination of Heavy Metals in Vegetables and Aqueous Media by FAAS: Box‐Behnken Design
Authors: Mahmoudian Masoumeh , Sarrafi Amir Hossein Mohsen , Konoz Elaheh , Niazi Ali 
Published: December 2022

AbstractIn this work, toner powder as a magnetic adsorbent coupled with a dispersive solid phase extraction (DSPE) method was proposed for the pre‐concentration and separation of Pb2+, Cd2+, and Zn2+ in vegetable samples and aqueous environments. Flame atomic absorption spectrometry (FAAS) was used for the final analysis of the ions. Adsorbent characterization was studied by scanning electron microscope (SEM), transmission electron microscopy (TEM), Fourier‐transform infrared spectroscopy (FTIR), X‐ray diffraction analysis (XRD), and vibrating‐sample magnetometer (VSM). The effect of experimental factors on the extraction efficiency was investigated by Box‐Behnken design (BBD). The maximum recovery percentage was found to be 95.40%, 95.40%, and 97.40% for Pb2+, Cd2+, and Zn2+, respectively. In the optimum conditions, the linearity ranges were obtained 12–200, 1–150, 0.4–100 μg L−1 for the Pb, Cd, and Zn ions, respectively. The limit of detection (LOD) of the method was found 3.60, 0.30, and 0.11 μg L−1 for the Pb2+, Cd2+, and Zn2+, respectively. The suggested procedure indicated to be appropriate, cost‐effective, and eco‐friendly for extraction of mentioned metal ions in different vegetables and water samples with high precision and accuracy.
Tag‐Free Enzymatic Modification for Antibody−Drug Conjugate Production
Authors: Yamazaki Shunsuke , Matsuda Yutaka 
Published: December 2022

AbstractCurrently, although >10 antibody−drug conjugates (ADCs) are available in the market, most of them (10 ADCs) have broad drug distribution, thereby potentially limiting their therapeutic index. The ADC industry is shifting from random conjugation technology to site‐specific conjugation technology to overcome this issue. Enzymatic site‐specific conjugation is a promising cutting‐edge technology owing to its mild conjugation conditions. This review discussed enzymatic conjugation strategies for producing ADCs via modifying native antibodies without using a tag moiety. We described the comparison of the three main conjugation technologies used to produce site‐specific ADCs. Each of the three enzymatic approaches described in this review differs in their advantages and disadvantages, providing pharmaceutical companies the option to select an approach suitable to their purpose and/or target protein.
Hybrid Pyrazole‐Tetrazole Derivatives with High α‐Amylase Inhibition Activity: Synthesis, Biological Evaluation and Docking Study
Authors: Harit Tarik , Cherfi Mounir , Elhouda Daoudi Nour , Isaad Jalal , Bnouham Mohamed , Malek Fouad 
Published: December 2022

AbstractThe elaboration of some N‐alkylated pyrazole‐tetrazole derivatives is reported. The structures of the newly ones are verified using NMR and FTIR spectroscopies, mass spectrometry as well as elemental analysis. Their potencies to inhibit the α‐amylase enzyme were evaluated using spectrophotometric method and the obtained results showed that some of them were extremely potent with respect to the used positive control. The structure activity relationship showed that the α‐amylase inhibition activity depends on the alkylation position as well as the nature of the alkyl moiety and the alkylation at the N1 position with a donor group improves the α‐amylase inhibition activity. Docking study was also performed and the obtained results support the experimental results in the case of the alkylation position effect. These findings suggest that the molecules reported in this study may be used as good drug candidate to treat Type 2 diabetes.
Ultrasound‐Assisted Green Synthesis of Pyrrole‐Fused Pyrimidine and Imidazole Rings through a Tandem Pseudo‐Four‐Component Reaction
Authors: Alizadeh Abdolali , Hasanpour Hamidreza , Rezaiyehraad Reza 
Published: December 2022

AbstractA new series of 1H‐pyrrolo[1,2‐a]imidazol‐6‐yl)acetamides and pyrrolo[1,2‐a]pyrimidin‐7‐yl)acetamides were synthesized by the ultrasound‐assisted tandem pseudo‐four‐component reaction (pseudo‐4CR). The present study reports the use of phenyglyoxal derivatives, malononitrile, 1,1‐bis(methylsulfanyl)‐2‐nitroethene, and diamines in EtOH as a green solvent to reach a product with excellent yields (85–95 %). Their structures were characterized by spectroscopic data (IR, MS, 1H, and 13C NMR) and verified by X‐ray analysis. The results revealed the influence of the electron‐withdrawing or electron‐donating substituent on the arylglyoxal ring and carbon chain length of the diamine on the formation of final product (pyrrole or pyridine ring). 1,2‐Diamines with arylglyoxal having electron‐withdrawing and electron‐donating substituent trigger the formation of the pyrrole and pyridine ring, respectively. However, 1,3‐diamines lead to only the formation of the pyrrole ring. This efficient and green protocol has remarkable advantages, such as abundant starting materials, simple operation, clean reaction profile, easy purification without traditional methods (i. e., column chromatography and crystallization), excellent tolerance to various substituents, and relatively short reaction time.
In Vitro Inhibitory Activity and Molecular Docking Study of Selected Natural Phenolic Compounds as AR and SDH Inhibitors**
Authors: Türkeş Cüneyt , Demir Yeliz , Beydemir Şükrü 
Published: December 2022

AbstractPolyol pathway enzymes, aldose reductase (EC 1.1.1.21; AR, ALR2), and sorbitol dehydrogenase (EC 1.1.1.14; SDH, SORD) have been widely investigated as the enzymes crucially involved in the pathogenesis of several chronic complications, including nephropathy, neuropathy, retinopathy, and cataracts associated with diabetes mellitus. Although phenolic compounds have been reported to possess many other biological activities, in continuation of our interest in designing and discovering potent inhibitors of AR and SDH, herein, we have evaluated these agents’ inhibitory potential against polyol pathway enzymes. Our in vitro studies revealed that all the derivatives show activity against recombinant human AR (rhAR) and SDH (rhSDH), with KI constants ranging from 9.37±0.16 μM to 77.22±2.49 μM and 2.51±0.10 μM to 42.16±1.03 μM, respectively. Among these agents, Prunetin and Phloridzin showed prominent inhibitory activity versus rhAR and rhSDH, while some were also determined to possess perfect dual activity. Moreover, in silico studies were also performed to rationalize binding site interactions of these agents with the target enzyme AR and SDH. According to ADME‐Tox was also determined that these derivatives be agents exhibiting suitable drug‐like properties. The compounds identified therapeutic potentials in this study may be promising for developing lead therapeutic agents to prevent polyol pathway complications.
Therapeutic Potential of Chlorophyll Functionalized Carbon Quantum Dots against Cervical Cancer
Authors: Alam Md Bayazeed , Minocha Tarun , Yadav Sanjeev K. , Parmar Avanish Singh 
Published: December 2022

AbstractCervical cancer is an emerging gynecological disorder that affects the morbidity and mortality of the females worldwide. In 2018, according to the World Health Organization, 570,000 women were diagnosed with cervical cancer and 311,000 women died from the condition. Various anticancer agents are in the run to combat cervical cancer but overall results are still demoralizing. Various reports suggest that Quantum dots are being used as promising agents against several types of cancer. In the current study, we synthesized high‐quantum yield chlorophyll functionalized carbon quantum dots (Chl‐CQDs) from banana leaves with a simple and environment friendly hydrothermal process. The free radical activity of Chl‐CQDs was measured using diphenyl picrylhydrazyl (DPPH) and azino‐bis (ethylbenzothiazoline sulphonic acid) diammonium salt (ABTS⋅+), as well as their cytotoxic, bioimaging, and apoptogenic properties were also evaluated on normal cell line HEK‐293 and human cancer cell lines SiHa. Our results of dimethylthiazol diphenyltetrazolium bromide tetrazolium reduction (MTT) assay showed that Chl‐CQDs have profound effect on SiHa cells with an IC50 of approximately 100 μg/ml after 24 hours and no effect HEK‐293 cells. Bioimaging and apoptogenic assays confirmed that Chl‐CQDs exhibited strong therapeutic potential against SiHa cells and no cytotoxic potential against HEK‐293 cells. The cumulative findings suggested that Chl‐CQDs exhibited non‐cytotoxic nature against HEK‐293 cells whereas cytotoxic nature against SiHa cells.
Complicated Mixtures: Repurposing the Chthulucene’s Troublesome Trash in Toy Story 4
Authors: Burton Lindsay 
Published: December 2022

AbstractIn a world plagued by plastic pollution (among other environmental threats), children’s stories dedicated to the positive role of plastic toys in children’s lives ought to be categorized as out of touch at best and immoral at worst. Disney’s Toy Story franchise, however, remains as popular as ever, with the fourth installment released in 2019 netting a slew of nominations and awards, including the Academy Award for Best Animated Feature. This paper examines the merits of Toy Story 4 as a posthumanist text that productively co-exists alongside and enters into dialogue with environmental critiques of plastic trash. I draw on Karen Barad’s new materialist theory of agential realism to reframe what is inherently a pro-plastic narrative into one that exemplifies the necessity of becoming comfortable with trash, with being lost, and with different approaches to reproduction, if, as Donna Haraway suggests, we are to stay with the trouble of irreversible plastic pollution that defines our Anthropocenic era.
When population-advantageous primary sex ratios are female-biased: changing concepts to facilitate climate change management in sea turtles
Authors: Santidrián Tomillo Pilar 
Published: December 2022

AbstractSea turtles have temperature-dependent sex determination. Because females are produced at high temperatures, increasing global temperature may lead to population feminization. Primary sex ratios (PSR) of sea turtle hatchlings are naturally female-biased, but this translates into a more balanced operational sex ratio because male turtles reproduce more often than females. As a consequence, a balanced PSR and the temperature that produces it (pivotal temperature) are of limited use to guide climate mitigation management because an equal PSR may be demographically suboptimal. Here, I define population-advantageous primary sex ratios (PA-PSR) as the PSR that will tend to be in equilibrium in a population and that will result in balanced operational sex ratios; I then estimate PA-PSR for different reproductive frequencies (years elapsed between reproductive seasons) of adult female and male turtles. I also define population equilibrium temperature (PET) as the temperature that would result in the equilibrium PSR of hatchlings (i.e., PA-PSR). These concepts may help assess the influence of rising temperatures on populations, as they can better indicate if PSRs depart from those at equilibrium. I compared PA-PSR and beach PSR for two populations of sea turtles for which male and female remigration intervals were known and found that a mild or no feminization over the PA-PSR may be occurring. Because PSR varies inter-annually, and hatchlings coming from beaches of different thermal conditions could recruit to the same population, it is critical to estimate beach PSR at the right temporal and spatial scales. Climate mitigation strategies based on these concepts could provide better management guidance for conservation practitioners. Similar approaches could be considered for other female-biased species with temperature-dependent sex determination.
Customers’ motives to co-create in smart services interactions
Authors: Roy Sanjit K. , Singh Gaganpreet , Hatton Corey , Dey Bidit , Ameen Nisreen , Kumar Satish 
Published: December 2022

AbstractThe paper identifies and analyses customers’ motives to co-create when interacting with smart services by integrating the self-determination theory with coordination mechanisms. The study also examines the how and to what extent value co-creation impacts on word-of-mouth and customer-based brand equity. An online questionnaire was employed for empirically validating the research model. The relationships were examined using partial least square path modelling. The findings show that intrinsic and extrinsic motives are significant antecedents of value co-creation. The coordination mechanisms namely, relating and knowing also significantly influence customers’ involvement in the value co-creation process. Results also show that value co-creation mediates the relationship between customers motives (intrinsic and extrinsic) to co-create and consequences. Findings of this study adds to the human–computer interaction literature by strengthening the nomological network of value co-creation when interacting with smart services by proposing a novel model integrating both the antecedents and outcomes of value co-creation. By recognizing how this practice could be motivated, service providers can bolster customer-firm interactions and enable favourable firm level consequences.
Feasibility study for estimating optimal substrate parameters for sustainable green roof in Sri Lanka
Authors: Kader Shuraik A. , Spalevic Velibor , Dudic Branislav 
Published: December 2022

AbstractIn twenty-first century buildings, green roof systems are envisioned as great solution for improving Environmental sustainability in urban ecosystems and it helps to mitigate various health hazards for humans due to climatic pollution. This study determines the feasibility of using five domestic organic wastes, including sawdust, wood bark, biochar, coir, and compost, as sustainable substrates for green roofs as compared to classical Sri Lankan base medium (fertiliser + potting mix) in terms of physicochemical and biological parameters associated with growing mediums. Comprehensive methodologies were devised to determine the thermal conductivity and electric conductivity of growing mediums. According to preliminary experimental results, the most suitable composition for green roof substrates comprised 60% organic waste and 40% base medium. Sawdust growing medium exhibited the highest moisture content and minimum density magnitudes. Biochar substrate was the best performing medium with the highest drought resistance and vegetation growth. The wood bark substrate had the highest thermal resistance. Growing mediums based on compost, sawdust, and coir produced the best results in terms of nitrate, phosphate, pH, and electric conductivity (EC) existence. This study provided a standard set of comprehensive comparison methodologies utilising physicochemical and biological properties required for substrate characterization. The findings of this research work have strong potential in the future to be used in selecting the most suitable lightweight growing medium for a green roof based on stakeholder requirements.
Genomics-based assembly of a sorghum bicolor (L.) moench core collection in the Uganda national genebank as a genetic resource for sustainable sorghum breeding
Authors: Mufumbo R. , Chakrabarty S. , Nyine M. , Windpassinger S. M. , Mulumba J. W. , Baguma Y. , Odong L. T. , Frisch M. , Snowdon R. J. 
Published: December 2022

AbstractThe Uganda National GeneBank is a key reservoir of genetic diversity for sorghum (Sorghum bicolor (L.) Moench), with over 3333 accessions which are predominantly landraces (96.48%), but also includes the weedy accessions (0.63%), breeding lines (2.5%) and released varieties (0.39%). This genetic resource from the primary center of sorghum diversity and domestication is important for broadening the genetic diversity of elite cultivars through breeding. However, due to the large size of the collection, we aimed to select a core set that captures the maximum genetic and phenotypic diversity, in order to facilitate detailed genetic and phenotypic evaluation at a reduced cost. To achieve this, we genotyped the entire collection in 2020 using Diversity Array Technology sequencing (DArTseq). A total of 27,560 SNPs were used to select a core collection of 310 accessions using the GenoCore software. A comparison of core set and the whole collection based on the polymorphism information content, observed heterozygosity, expected heterozygosity and minor allele frequency showed no significant difference between the two sets, indicating that the core collection adequately captures the genetic diversity and allelic richness present in the whole collection. The core collection captures all the five major sorghum races and the 10 intermediate hybrids. The most strongly represented race is guinea (24.5%), while caudatum-bicolor is least frequent (0.69%). Landraces account for 92.2% of the core collection, whereas breeder’s lines, weedy accessions and released varieties contribute 2.2%, 3.5% and 1.9%, respectively.