bluuebunny/crossref_metadata_2025 huggingface dataset:
Practical Synthesis of Polyamine Succinamides and Branched Polyamines
Authors: Alkhzem Abdulaziz H. , Laabei Maisem , Woodman Timothy J. , Blagbrough Ian S.
Published: October 2022

Antibiotic resistance is now a growing threat to human health, further exacerbated by the lack of new antibiotics. We describe the practical synthesis of a series of substituted polyamine succinamides and branched polyamines that are potential new antibiotics against both Gram‐positive and Gram‐negative bacteria, including MRSA and Pseudomonas aeruginosa. They are prepared via 1,4‐Michael addition of acrylonitrile and then hydrogenation of the nitrile functional groups to primary amines. They are built upon the framework of the naturally occurring polyamines thermine (3.3.3, norspermine) and spermine (3.4.3), homo‐ and heterodimeric polyamine succinic amides. Linking two of the same or different polyamines together via amide bonds can be achieved by introducing a carboxylic acid group on the first polyamine, then coupling that released carboxylic acid to a free primary amine in the second polyamine. If the addition of positive charges on the amino groups along the polyamine chains are a key factor in their antimicrobial activity against Gram‐negative bacteria, then increasing them will increase the antimicrobial activity. Synthesising polyamine amide dimers will increase the total net positive charge compared to their monomers. The design and practical synthesis of such homo‐ and hetero‐dimers of linear polyamines, spermine and norspermine, are reported. Several of these compounds do not display significant antibacterial activity against Gram‐positive or Gram‐negative bacteria, including MRSA and Pseudomonas aeruginosa. However, the most charged analogue, a branched polyamine carrying eight positive charges at physiological pH, displays antibiofilm activity with a 50 % reduction in PAO1 at 16–32 μg mL−1.
Synthesis and Anti‐Inflammatory Activity of 2‐Amino‐4,5,6,7‐tetrahydrobenzo[b]thiophene‐Derived NRF2 Activators
Authors: Mak Kit‐Kay , Shiming Zhang , Epemolu Ola , Dinkova‐Kostova Albena T. , Wells Geoffrey , Gazaryan Irina G. , Sakirolla Raghavendra , Mohd Zulkefeli , Pichika Mallikarjuna Rao
Published: October 2022

This is the first study investigating the nuclear factor (erythroid‐derived 2)‐like 2 (NRF2) activity of compounds containing a new scaffold, tetrahydrobenzo[b]thiophene. Eighteen compounds were synthesised and confirmed their NRF2 activation through NQO1 enzymatic activity and mRNA expression of NQO1 and HO‐1 in Hepa‐1c1c7 cells. The compounds disrupted the interaction between Kelch‐like ECH‐associated protein 1 (KEAP1) and NRF2 via interfering with the KEAP1’s Kelch domain. The compounds exhibited anti‐inflammatory activity in Escherichia coli Lipopolysaccharide (LPSEc)‐stimulated RAW 264.7 cells. The anti‐inflammatory activity of the compounds was associated with their ability to activate NRF2. The compounds reversed the elevated levels of pro‐inflammatory cytokines (IL‐1β, IL‐6, TNF‐α, and IFN‐γ) and inflammatory mediators (PGE2, COX‐2, and NF‐κB). The compounds were metabolically stable in human, rat, and mouse liver microsomes and showed optimum half‐life (T1/2) and intrinsic clearance (Clint). The binding mode of the compounds and physicochemical properties were predicted via in silico studies.
A comparison of DNA sequencing and gene expression profiling to assist tissue of origin diagnosis in cancer of unknown primary
Authors: Posner Atara , Prall Owen WJ , Sivakumaran Tharani , Etemadamoghadam Dariush , Thio Niko , Pattison Andrew , Balachander Shiva , Fisher Krista , Webb Samantha , Wood Colin , DeFazio Anna , Wilcken Nicholas , Gao Bo , Karapetis Christos S , Singh Madhu , Collins Ian M , Richardson Gary , Steer Christopher , Warren Mark , Karanth Narayan , Wright Gavin , Williams Scott , George Joshy , Hicks Rodney J , Boussioutas Alex , Gill Anthony J , Solomon Benjamin J , Xu Huiling , Fellowes Andrew , Fox Stephen B , Schofield Penelope , Bowtell David , Mileshkin Linda , Tothill Richard W
Published: October 2022

Cancer of unknown primary (CUP) is a syndrome defined by clinical absence of a primary cancer after standardised investigations. Gene expression profiling (GEP) and DNA sequencing have been used to predict primary tissue of origin (TOO) in CUP and find molecularly guided treatments; however, a detailed comparison of the diagnostic yield from these two tests has not been described. Here, we compared the diagnostic utility of RNA and DNA tests in 215 CUP patients (82% received both tests) in a prospective Australian study. Based on retrospective assessment of clinicopathological data, 77% (166/215) of CUPs had insufficient evidence to support TOO diagnosis (clinicopathology unresolved). The remainder had either a latent primary diagnosis (10%) or clinicopathological evidence to support a likely TOO diagnosis (13%) (clinicopathology resolved). We applied a microarray (CUPGuide) or custom NanoString 18‐class GEP test to 191 CUPs with an accuracy of 91.5% in known metastatic cancers for high–medium confidence predictions. Classification performance was similar in clinicopathology‐resolved CUPs – 80% had high–medium predictions and 94% were concordant with pathology. Notably, only 56% of the clinicopathology‐unresolved CUPs had high–medium confidence GEP predictions. Diagnostic DNA features were interrogated in 201 CUP tumours guided by the cancer type specificity of mutations observed across 22 cancer types from the AACR Project GENIE database (77,058 tumours) as well as mutational signatures (e.g. smoking). Among the clinicopathology‐unresolved CUPs, mutations and mutational signatures provided additional diagnostic evidence in 31% of cases. GEP classification was useful in only 13% of cases and oncoviral detection in 4%. Among CUPs where genomics informed TOO, lung and biliary cancers were the most frequently identified types, while kidney tumours were another identifiable subset. In conclusion, DNA and RNA profiling supported an unconfirmed TOO diagnosis in one‐third of CUPs otherwise unresolved by clinicopathology assessment alone. DNA mutation profiling was the more diagnostically informative assay. © 2022 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Synthesis of titanium phosphate/polypyrrole nanocomposites for removal of methyl orange from water
Authors: Gupta Sakshi , Ben Sachin Kumar , Chandra Vimlesh
Published: October 2022

In this paper, titanium (IV) phosphate (TiP), polypyrrole (PPy), and titanium (IV) phosphate‐polypyrrole (TiP/PPy) nanocomposites were synthesized for adsorption of methyl orange (MO) dye from water. X‐ray diffraction data showed the formation of pure samples with crystallite size 14.1 and 14.2 nm of TiP and TiP/PPy nanocomposite respectively. The specific surface area of TiP (77.127 m2 g−1) was higher than PPy (17.004 m2 g−1) and TiP/PPy nanocomposite (25.247 m2 g−1). The equilibrium adsorption capacity (qe) was found to be 9.801 and 30.69 mg g−1 for PPy and TiP/PPy nanocomposite respectively. The Langmuir model was successfully fitted, and the TiP/PPy nanocomposite (69.4 mg g−1) had a greater maximum adsorption capacity (qm) than PPy (51.9 mg g−1). The MO adsorption removal efficiency was dependent on the pH of the solution and was found to be 86.7% and 30.7% for TiP/PPy nanocomposite and PPy respectively at pH 4. Thermodynamics studied confirmed the spontaneous and exothermic nature of the adsorption process. The presence of common ions decreased MO adsorption capacity and the maximum decrease was found for sodium carbonate. Electrostatic interaction, π–π stacking, and hydrogen bonding were responsible for adsorption of MO dye on the TiP/PPy nanocomposite and PPy.
The plastomes of Hyalomonas oviformis and Hyalogonium fusiforme evolved dissimilar architectures after the loss of photosynthesis
Authors: DeShaw Alexandra E. , Figueroa‐Martinez Francisco , Pröschold Thomas , Lorenz Maike , Nedelcu Aurora M. , Smith David R. , Reyes‐Prieto Adrián
Published: October 2022

The loss of photosynthesis in land plants and algae is typically associated with parasitism but can also occur in free‐living species, including chlamydomonadalean green algae. The plastid genomes (ptDNAs) of colorless chlamydomonadaleans are surprisingly diverse in architecture, including highly expanded forms (Polytoma uvella and Leontynka pallida) as well as outright genome loss (Polytomella species). Here, we explore the ptDNAs of Hyalomonas (Hm.) oviformis (SAG 62‐27; formerly known as Polytoma oviforme) and Hyalogonium (Hg.) fusiforme (SAG 62‐1c), each representing independent losses of photosynthesis within the Chlamydophyceae. The Hm. oviformis ptDNA is moderately sized (132 kb) with a reduced gene complement (but still encoding the ATPase subunits) and is in fact smaller than that of its photosynthetic relative Hyalomonas chlamydogama SAG 11‐48b (198.3 kb). The Hg. fusiforme plastome, however, is the largest yet observed in nonphotosynthetic plants or algae (~463 kb) and has a coding repertoire that is almost identical to that of its photosynthetic relatives in the genus Chlorogonium. Furthermore, the ptDNA of Hg. fusiforme shows no clear evidence of pseudogenization, which is consistent with our analyses showing that Hg. fusiforme is the nonphotosynthetic lineage of most recent origin among known colorless Chlamydophyceae. Together, these new ptDNAs clearly show that, in contrast to parasitic algae, plastid genome compaction is not an obligatory route following the loss of photosynthesis in free‐living algae, and that certain chlamydomonadalean algae have a remarkable propensity for genomic expansion, which can persist regardless of the trophic strategy.
Improved NMR‐data‐compliant protein structure modeling captures context‐dependent variations and expands the scope of functional inference
Authors: Das Niladri R. , Chaudhury Kunal N. , Pal Debnath
Published: October 2022

Nuclear magnetic resonance (NMR) spectroscopy can reveal conformational states of a protein in physiological conditions. However, sparsely available NMR data for a protein with large degrees of freedom can introduce structural artifacts in the built models. Currently used state‐of‐the‐art methods deriving protein structure and conformation from NMR deploy molecular dynamics (MD) coupled with simulated annealing for building models. We provide an alternate graph‐based modeling approach, where we first build substructures from NMR‐derived distance‐geometry constraints combined in one shot to form the core structure. The remaining molecule with inadequate data is modeled using a hybrid approach respecting the observed distance‐geometry constraints. One‐shot structure building is rarely undertaken for large and sparse data systems, but our data‐driven bottom‐up approach makes this uniquely feasible by suitable partitioning of the problem. A detailed comparison of select models with state‐of‐art methods reveals differences in the secondary structure regions wherein the correctness of our models is confirmed by NMR data. Benchmarking of 106 protein‐folds covering 38–282 length structures shows minimal experimental‐constraint violations while conforming to other structure quality parameters such as the proper folding, steric clash, and torsion angle violation based on Ramachandran plot criteria. Comparative MD studies using select protein models from a state‐of‐art method and ours under identical experimental parameters reveal distinct conformational dynamics that could be attributed to protein structure–function. Our work is thus useful in building enhanced NMR‐evidence‐based models that encapsulate the contextual secondary and tertiary structure variations present during the experimentation and expand the scope of functional inference.
Structure‐Dependent Spectrum Characteristics of Infrared Radiation from Metal–Semiconductor Surface Microstructures
Authors: Aye Hnin Lai Lai , Hayashi Kotaro , Orito Haruki , Lin Bojin , Suzuki Ikuya , Ma Bei , Ishitani Yoshihiro
Published: October 2022

The thermal radiation at 8.5 THz resonating with the longitudinal optical (LO) phonon is emitted from surface Au–GaAs microstripe structures on undoped GaAs wafers. The emission spectrum comprises a component originating from the LO phonon resonant electric dipole and another one of blackbody‐like emission subject to Planck's law for structures without or low mesa height. Narrow GaAs window yields thermal emission spectra with deep‐ and wide‐intensity drop at the higher‐energy side of the LO phonon energy. This intensity drop is formed by the absorption of the emitted radiation by generating surface phonon polaritons and forms the weak background emission in the region of 260–350 cm−1. An additional emission peak is observed at ≈350 cm−1 for high‐mesa structures. This peak is attributed to phonon–polariton‐related emission, for which electric dipoles are yielded by pairs of polarization charges in Au–GaAs–Au mesa structures.
Sputter Epitaxy of AlN and GaN on Si(111)
Authors: Dadgar Armin , Hörich Florian , Borgmann Ralf , Bläsing Jürgen , Schmidt Gordon , Veit Peter , Christen Jürgen , Strittmatter André
Published: October 2022

Sputter epitaxy is a low‐cost process suited for the deposition of group‐III‐nitride semiconductors and allowing the deposition on large substrate areas at lower growth temperatures than in metal–organic vapor phase epitaxy (MOVPE). High‐quality AlN, AlGaN, and GaN epitaxially grown on Si(111) substrates by reactive magnetron sputtering are demonstrated and details on process parameters are given. With an ammonia‐based reactive sputtering process in a high‐purity environment, AlN can be grown with high crystalline quality comparable to the best MOVPE‐grown samples regarding twist and tilt and with a very low surface roughness, free of the typical columnar structure of sputtered AlN and pits. Also AlGaN, typically required for strain engineering of GaN layers grown on Si, can be grown in the entire compositional range by co‐sputtering of Al and Ga. Thin undoped buffer layer samples show high breakdown field strengths well above 2.5 × 106 V cm−1 and demonstrate the possible use for field effect transistor (FET) buffer layers.
Preliminary design and evaluation of a generic surgical scope adapter
Authors: Khorasani Mohammad , Abdurahiman Nihal , Padhan Jhasketan , Zhao Haoran , Al‐Ansari Abdulla , Becker Aaron T. , Navkar Nikhil
Published: October 2022

Background

Robotic scope assistant systems are used to visualise and navigate the operative field during a laparoscopic surgery. The objective of this work is to design a surgical scope adapter that enables control of different scope types (zero‐degree, angulated, and articulated), and can be connected to any six degree‐of‐freedom robotic manipulator for usage as a robotic scope assistant system.

Methods

A surgical scope adapter compatible with different camera heads and scope types was designed and prototyped. The technical performance of the scope adapter was evaluated and a user study was conducted to assess the human‐in‐the‐loop control.

Results

All the subjects were able to navigate the simulated operative field. The scope adapter permits continuous motion to explore the operative field as well as intermittent motion to accurately focus on the targeted anatomical landmarks.

Conclusion

The modular and generic nature of the surgical scope adapter may enable its usage across different minimally invasive surgeries.
Preparation of Multiwalled Carbon Nanotubes: Electrochemically Treated Pencil Graphite Electrodes for Nanomolar Detection of L‐Tryptophan in Complex Samples
Authors: Yıldız Ceren , Bayraktepe Dilek Eskiköy , Yazan Zehra
Published: October 2022

The present work reports a sensitive and simple sensor based on an electrochemically treated pencil graphite electrode (pre‐PGE) modified with multi‐walled carbon nanotubes (MWCNTs) for electrochemical determination of L‐tryptophan (L‐Try) detection in the presence of uric acid. Electrochemical and physical characterizations of the MWCNTs/pre‐PGE were investigated using cyclic voltammetry (CV), Electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) techniques. Under the optimized conditions, the linear working range was 0.030–200.0 μM with a limit of detection of 9.0 nM using the differential pulse adsorptive stripping voltammetry (DPAdSV) method. The proposed sensor exhibited good sensitivity, repeatability, reproducibility, and stability. The MWCNTs/pre‐PGE were successfully applied to L‐Try determination in commercial poly‐amino acid supplements with good recovery and accuracy.
Recent Developments of Methanol Electrooxidation Using Nickel‐based Nanocatalysts
Authors: Majumdar Dipanwita , Bhattacharya Swapan Kumar
Published: October 2022

Studies of methanol electrooxidation reactions have achieved considerable advancements in the recent years for their encouraging contributions in the exciting fields of energy conversion and storage, organic syntheses, wastewater treatment, sensing, medicinal and environmental analyses, and many others thriving fields of modern technology. Accordingly, the fabrication of less expensive, efficient and decent quality electrocatalysts with high material stability, faster electro‐oxidation kinetics, as well as less carbonation and decent corrosion inhibition activities are highly urged. Consequently, scientists around the globe are in continuous search for alternative economical smart anode‐nanocatalysts for methanol oxidations with superior electrochemical performances. In the recent years, various inexpensive and readily‐available nanocatalysts of non‐noble metals like Ni, Co, Cu, etc., in reference to electrooxidation of organic molecules have been reported. The present work highlights the recent progress accomplished by rapidly flourishing nickel‐based electrocatalysts for electrooxidation of methanol. The discussion comprehensively includes the basic mechanistic understandings and fundamentals for achieving high efficacy of methanol electrooxidation with nickel‐based electrocatalysts. Also, the current challenges faced in this emerging area have been outlined to achieve superior, productive, and commercially viable catalysts for methanol electrooxidation in the near future.
Copper Pyrrole‐imine Incorporated Fe3O4‐Nanocomposite: A Magnetically Separable and Reusable Catalyst for the Oxidative Amination of Aryl Aldehydes
Authors: Hasan Kamrul , Joseph Reshma G. , Patole Shashikant P.
Published: October 2022

The present work represents the fabrication of a Fe3O4‐based nanocomposite Fe3O4@CS@PyL‐imin@Cu and its application towards oxidative amination of aryl aldehydes to important amides. First, magnetic Fe3O4 was coated with chitosan (CS) and then treated with pyrrole‐2‐carboxaldehyde that produces the desired magnetic nanocatalyst by depositing Cu on its pyrrole‐imine functionalized surface. The structure and property of the nanocatalyst are confirmed by all physicochemical technics. The Cu‐based magnetic nanocatalyst shows excellent catalytic efficiency toward the oxidative amination of aldehydes with secondary amines to produce corresponding amides (up to 97 % yield) in presence of environmentally benign oxidant H2O2. The magnetic nanocatalyst is easily separable with an external magnet and reusable up to the 5th catalytic cycle without any significant loss of catalytic activity. Overall, a low loading (1.5 mol % of Cu) nanocatalyst has proven to be a practical approach to an alternative to the existing protocol for the preparation of amides.
CO2 Cycloaddition to Styrene Oxide Catalysed by ZnBr2 Impregnated Rice Husk Ash Silica: Structural and Kinetics Studies
Authors: Yao Swee Yi , Iqbal Anwar , Abu Bakar N. H. H. , Yusop Muhammad Rahimi , Pauzi Hariy , Kanakaraju Devagi
Published: October 2022

A series of ZnBr2 impregnated on rice husk ash silica catalysts were synthesised via the wet impregnation method for the CO2 cycloaddition to styrene oxide reaction. The X‐ray diffraction (XRD) analysis indicates that the impregnation resulted in the deterioration of the silica's pore channels. Catalyst with 0.5 w/w% of Zn (0.5 wt %ZnBr2‐SiO2) was highly active in the CO2 cycloaddition to styrene oxide. The conversion of styrene oxide (StO) was 89.1 %, with the styrene carbonate (SC) selectivity of 92.1 % under the optimum conditions (130 °C, 60 bar, 3 h and solventless). Additionally, the universality of 0.5 wt %ZnBr2‐SiO2 was also studied with other epoxides, and it shows good to excellent activity. The catalytic performance of the 0.5 wt %ZnBr2‐SiO2 remains constant after being reused three consecutive times. The activation energy of the reaction was determined to be 89.06 kJ/mol.
Electrochemical Sensor for Ascorbic Acid, Acetaminophen and Nitrite Based on Organoclay/Zr‐MOF Film Modified Glassy Carbon Electrode
Authors: Ngwem Marcelline Carine Ngo , Kemmegne‐Mbouguen Justin Claude , Langmi Henrietta W. , Musyoka Nicholas M. , Mokaya Robert
Published: October 2022

A composite (Sa‐HTDMA/UiO‐66) consisting of organoclay (Sa‐HTDMA) and a metal‐organic framework (UiO‐66) was prepared using organically modified natural Cameroonian clay and Zr‐MOF. The organoclay was obtained by intercalating in its interlayer hexadecyltrimethyl ammonium cation (HTDMA). The composite was then used to form a film onto a glassy carbon electrode (GCE) by drop coating (Sa‐HTDMA/UiO‐66/GCE). Electrochemical responses recorded at the as‐prepared modified electrodes for ascorbic acid (AA), acetaminophen (AC) and nitrite (NO2−) were investigated using cyclic and linear sweep voltammetry. The results revealed that Sa‐HTDMA/UiO‐66/GCE exhibited a favorable behavior for individual and simultaneous sensing of AA, AC and NO2−. Additionally, compared with UiO‐66 modified GCE, the composite enabled good performance of the electrode. Under the optimum conditions, the linear calibration curves were attained in the following ranges: 1–650 μM for AA, 1–700 μM for AC and 1–600 μM for NO2− with the respective detection limits of 0.01, 0.19 and 0.33 μM. Application of the sensors to determine AA and AC in pharmaceutical preparations, and NO2− in tap water, was successful.
A Dual‐Function Carbon Quantum Dot Fluorescent Probe for the Detection of Fe3+ and Sunset Yellow
Authors: Bao Wenbin , Lan Yuwei , Lu Haiqin , Li Guowei , Yu Meihua , Yang Jiachu , Wei Liubai , Su Qionghua
Published: October 2022

There are few researches on the application of multifunctional carbon quantum dots (CQDs) in analysis and detection. In this study, carbon quantum dots (CQDs) with dual‐function detection were synthesized by the one‐step hydrothermal method with citric acid as the carbon source and o‐phenylendiamine as the nitrogen source to detect Fe3+ and sunset yellow. The morphology of the prepared CQDs and the surface functional groups were characterized using TEM, FTIR, XPS, UV‐Vis spectroscopy, and fluorescence spectrophotometer. The results show that the morphology of CQDs is nearly spherical and well dispersed, with a particle size range of 1.24∼6 nm and the average particle size was 3.23 nm. The surface of the CQDs has hydrophilic groups, such as OH, −COOH and −NH2. CQDs exhibited good acid and alkali resistance, salt resistance, and photobleaching resistance under different conditions. The detection limits of CQDs for Fe3+ and sunset yellow were 1.52 μM and 0.812 μM, respectively. The recoveries of actual samples were 96.65 %∼104.85 % and 95.4 %∼104.55 %, with relative standard deviations (RSDs) of less than 6 %. Therefore, CQDs can be employed as dual‐function fluorescent probes in the practical detection of samples and have promising application prospects.
Synthesis of Nitrogen‐Doped Hierarchical Carbon Derived from Water Hyacinth with High Catalytic Activity for Oxygen Reduction Reaction
Authors: Liao Tianhao , Wang Minkang , Pu Yi , He Yuling , Hua Shiyang , Zhang Xinglong , Li Peiwen , Wan Xinming , Tang Hui
Published: October 2022

Nitrogen‐doped carbon materials as durable high‐performance oxygen reduction reaction (ORR) catalysts showed great potential to replace Pt‐based catalysts. In this paper, a N‐self‐doped carbon catalyst is fabricated from natural biomass (water hyacinth) via a facile pyrolysis process. The as‐prepared catalysts with high specific surface area (828.50 m2 g−1) possess hierarchical porous structures and excellent ORR efficiency. The catalysts exhibit a high onset potential (Eonset=0.948 V), half‐wave potential (E1/2=0.827 V) and limiting current density (JL=4.95 mA cm−2), which is comparable to commercial Pt/C. Moreover, the long‐term stability and tolerance to methanol of the as‐prepared catalysts are also superior to those of Pt/C. The outstanding electrochemical performance is ascribed to the hierarchical porous structure with accessible active sites, which originated from the natural properties of water hyacinth. This work opens a new door for the synthesis of NC catalysts using biomass as a precursor. The as‐prepared catalysts have great potential for further study and applications in energy.
Simultaneous Bio‐oxidation and Bio‐reduction of Chlortetracycline and Paracetamol Using a Sequenced Batch Reactor (SBR)
Authors: Celik Aytekin
Published: October 2022

Chlortetracycline (CTC) and paracetamol (PCT), which are among the most widely used drugs today, have started to be detected in groundwater and surface waters. For this reason, water resources are exposed to more and more drug pollution every day. For this purpose, it is important to remove these pollutants from the environments where they are located. In this study, CTC and PCT drugs together with ammonium (NH4‐N) and nitrate (NO3‐N) pollutants were simultaneously removed in a single reactor. At the end of the study, PCT and CTC were removed at maximum 99.8 % and 66 % under the same conditions, respectively. At the same time, nitrification and denitrification efficiency were obtained as 99 %. In terms of volumetric removal flux, chlortetracycline and equivalent O2 flux of chlortetracycline maximum were calculated as 2.05 and 3.56 mg/L.d. Likewise, the maximum removal volumetric flux of paracetamol and its O2 equivalent flux were determined as 136 and 301.5 mg/L.d. The results showed that, aerobic nitrified bacteria preferred paracetamol rather than chlortetracycline. In other words, nitrified bacteria preferred paracetamol/chlortetracycline as the second electron acceptor after O2. As a result, chlortetracycline and paracetamol were successfully eliminated in the SBR system. In addition, simultaneous biological removal of these drugs with nitrogenous pollutants has been successfully achieved.
Total Synthesis of the Marine Sponge Alkaloid Motuporamine C Using a Ramberg‐Bäcklund Ring Contraction Strategy
Authors: Song Zijie , Meng Shuyu , Wang Quanrui
Published: October 2022

A new total synthesis of the marine alkaloid motuporamine C, a macrocyclic polyamine alkaloid from the marine sponge Xestospongia exigua, has been accomplished. Key steps of this synthesis include application of Ramberg‐Bäcklund rearrangement for achieving the 15‐membered aza‐macrocyclic alkene and Rh(II)‐catalyzed deoxygenation of epoxide for the conversion of E‐ to Z‐configuration of the double bond within the cyclic structure.
Aminopyridinyl Tricosanamide Based Pseudoplastic and Thermoreversible Oleogels for pH‐Dependant in vitro Release of Metronidazole
Authors: Yadav Eqvinshi , Sebastian Sharol , Gupta Manoj K.
Published: October 2022

Oleogels are semi‐solid, thermo‐reversible and viscoelastic self‐assembled 3‐D networking structures in which edible oils are immobilized through physical interactions with oleogelators. Nowadays, oleogels have attracted the attention of researchers for its wide applications in pharmaceuticals, cosmetics and food industries. Therefore, we have prepared a new oleogel formulation for topical and transdermal applications of antimicrobial and antiseptic agent metronidazole with enhanced properties. Aminopyridinyl tricosanamide fatty acid amide oleogelator self‐assembled in edible oils, form stable/thermoreversible gel with good shear thinning and pseudoplasticity. Such oleogels may be excellent drug delivery vehicles for topical/transdermal applications due to their shear thinning and pseudoplastic behaviour. In addition, the pH of these gels fall in the range of skin pH which bodes well for potential applications on skin. These gels show a slow and controlled release of the drug in both acidic and slightly basic buffers, indicating long‐term antibacterial activity associated with such drug loaded oleogels.
S‐g‐C3N4/N−TiO2 @PTFE Membrane for Photocatalytic Degradation of Tetracycline
Authors: You Xuehui , Liu Fang , Jiang Guofei , Chen Shuhua , An Beiya , Cui Rongli
Published: October 2022

Herein we synthesized S‐g‐C3N4 and N−TiO2 catalysts by hydrothermal and calcination technologies and SCN/NT@PTFE membrane by a vacuum filtration method. The morphology and composition of the synthesized materials were analyzed by different characterization methods (SEM/HRTEM/XRD/XPS/UV‐vis et.). The effects of different catalysts, pollutant concentrations, mass of catalyst and pH on the photo‐degradation of tetracycline were investigated. The degradation rate of tetracycline by SCN/NT‐2@PTFE membrane was as high as 99.9 % after 2 h of illumination. This was mainly because heterogeneous structure between S‐g‐C3N4 and N−TiO2 broadened the light absorption range and suppressed the carrier complex. Superoxide radicals (⋅O2−) were proved to play a dominant role in the degradation reaction. After 20 days of stirring in water, the photocatalytic performance of membrane decreased slightly, demonstrating its good stability. The study of SCN/NT‐2@PTFE membrane provides a new direction for the development of photocatalysis and membrane.
Catalytic Synthesis of Energy‐rich Fuel Additive Levulinate Esters from Levulinic Acid using Modified Ultra‐stable Zeolite Y
Authors: Gautam Priyanka , Barman Sanghamitra , Ali Amjad
Published: October 2022

In the present investigation, the esterification reaction of levulinic acid with ethanol was performed using sulfuric acid‐modified zeolite Y catalyst to synthesize ethyl levulinate. Characterization of zeolite catalysts was performed using SEM‐EDS, XRD, and FTIR techniques. The experiments were performed to find the optimum reaction parameters to obtain the maximum yield of 96 % of the product, levulinate ester by varying catalyst concentration (2–12 wt %), levulinic acid to ethanol mole ratio (1 : 1 to 1 : 13), reaction temperature (40 °C–100 °C). The esterification of levulinic acid with ethanol followed pseudo‐first‐order reaction kinetics. The activation energy for this reaction was found to be 19.570 KJmol−1.
Amorphous Cr2O3 Sheets: A Novel Supercapacitor Electrode Material
Authors: Joseph Anit , Sunny Joe , Thomas Tiju , Anantharaman M. R.
Published: October 2022

An ongoing field of study involves improving the performance and stability of benchmarked metal catalysts employing nanostructured non‐metallic materials, which is both fascinating from a fundamental and an application standpoint. By rapidly thermally exfoliating CrCl3 6H2O precursors, amorphous few‐layered nanosheets of Cr2O3 (3‐5 nm) are synthesized. The exfoliated Cr2O3 was characterized using structural and electrochemical techniques. Cyclic Voltammetry (CV) revealed that the material delivers a specific capacitance of 1100 F/g at 10 mV/s, which is among the best‐reported values for this material. This sample has a modest surface area of 155 m2/g with a mesoporous structure. Electrochemical impedance spectra (EIS) for amorphous Cr2O3 revealed lower series resistance (Rs) and charge transfer resistance (Rct) of 0.6 Ω and 0.88 Ω, respectively. Additionally, this material delivers a desirable energy and power density of 20.2 Wh/kg and 125 W/kg, respectively.
Eu‐doped ZnAl‐LDH as a Fluorescent Labeling Carrier for the Delivery and Controlled Release of Camptothecin
Authors: Li Tingting , Qiu Xingxing , Li Chao , Shang Xiaoqiang , Chen Yufeng
Published: October 2022

Europium doped Zinc‐aluminum layered double hydroxide (Eu‐doped ZnAl‐LDH) as a fluorescent labeling carrier for the delivery and controlled release of camptothecin (CPT) has been studied. X‐ray diffraction (XRD) patterns showed that the basal spacing of the Eu‐doped ZnAl‐LDH intercalated with CPT (2.27 nm) was larger than that of the initial Eu‐doped ZnAl‐LDH (0.88 nm), indicating the successful intercalation of CPT into the Eu‐doped ZnAl‐LDH carrier. X‐ray photoelectron spectroscopy (XPS) suggested that some Eu(III) were reduced to Eu(II) after the intercalation of CPT into the Eu‐doped ZnAl‐LDH. The release of the CPT from drug carrier was carried out in a simulated medium. It was found that the cumulative concentration of the released CPT was exponential with releasing time, and well conformed to the exponential equation: C=A‐Bexp(‐kt). It took 720 minutes (min) for the complete release of CPT from drug carrier. Fluorescent analyses revealed that the fluorescence attributed to the drug delivery system changed from red, blue‐green, to blue emission during delivery and release of CPT, which may be a favorable signal for “detecting” the delivery and release of CPT. Thus, the present Eu‐doped ZnAl‐LDH may be a feasible drug carrier with fluorescent labeling function.
Development of ICP‐OES Based Analytical Method with Prior Preferential Removal of Emission Rich Matrix by Elevated Temperature Ionic Liquid Based Extractive Mass Transfer for Determination of Metallic Constituents in U‐Mo Alloy: The Next Generation Nuclear Fuel
Authors: Bhoir Seema , Pathak Sunita , Jayabun Sk. , Sengupta Arijit
Published: October 2022

An (ICP‐OES) based analytical methodology was developed for the determination of metallic constituents (Al, Ca, Co, Cr, Cu, Fe, Ga, In, Mn, Mg, Na, Ni, Si, V, W and Zn) at minor and trace level in U−Mo alloy fuel after preferential separation of emission rich major matrix using TBP‐HDBO‐NTf2 without any compromise on the determination of analytes at trace levels. Application of ionic liquid, HDBO‐NTf2 drastically reduced the time of analysis (30 min reduction per sample) and generation of toxic organic waste (20 mL per sample) containing U and Mo. The method was optimized by identification of analytical lines of the elements free from spectral interference of U and Mo, establishing the calibration curves using those lines and evaluation of analytical performances (detection limit, linear dynamic range etc.) in U−Mo matrix. The preferential separation of U and Mo were found to follow anion exchange and cation exchange mechanism involving UO2((NO)3)3.2TBP− and MoO2(NO3) TBP+ species, respectively, which differ in their conventional separation by solvation mechanism involving ML2 and ML1 neutral species, respectively. Preferential separation by HDBO‐NTf2 based system can be effectively used for determination of analytes of 10 ppm concentration at 10 % error limit. The total uncertainty in estimation of each analyte have been estimated. The real sample analyses data were compared to that obtained by n‐dodecane based ICP‐OES method and direct analysis of Energy Dispersive X‐ray Fluorescence spectroscopic (EDXRF) method. The data were found to be in good agreement with each other. The experimentally obtained results were subjected to t‐test with 95 % confidence limit and 10 degrees of freedom. The texpt was found to be less than tcrit 2.228 revealing reliability of the methods. The experimentally obtained variance values (Fexpt) were found to be less than Fcrit∼2.980 revealing the variance values are within acceptable statistical error limit.
A Novel Ratiometric Fluorescent Probe for Hypobromous Acid Detection in Living Cells
Authors: Zhang Jin , Liu Saiwen , Liu Changhui , Hu Yongjun , Peng Tianying , He Yiyun
Published: October 2022

A novel ratiometric fluorescent probe HB‐2 based on benzothiazole for hypobromous acid (HBrO) was synthesized and studied. After HBrO was added to the CH3CN‐HEPES solution of the HB‐2, the probe cyclized to form a sulfimine bond, which increased the conjugated degree of the system. The fluorescence emission peak of the reaction system at 447 nm gradually decreased, while the newly generated emission peaks gradually increased at 580 nm. The ratio of the fluorescence intensity at the two wavelengths of 447 nm and 580 nm increased about 234 times. Moreover, it has successfully been used to stain and record microscopy images of 4T1 cells, and the presence of exogenous HBrO could be judged by the change of fluorescence intensity.
Dual Detection of Temperature And Chiral Amino Acid Using Triphenylamine‐Based Fluorescent Probes
Authors: Tu Yajing , Cao Jian , Zhang Meijuan , Liu Mingming , Huang Cuiping , Li Yanan , Wang Chuanxiao
Published: October 2022

Accuracy measurement of temperature is important in day‐to‐day life and scientific research. Chiral amino acids play an irreplaceable role in medicine, biochemistry, and other fields; however, the polarity solvents do easily disturb hydrogen bond formation between chiral amino acids and fluorescence probe. Herein, a fluorescent probe Tap‐S, using triphenylamine as fluorophore, is synthesized for dual detection of temperature and enantiomers of chiral amino acids in polarity aqueous solution. The fluorescence emission of Tap‐S to the temperature has a good response in the mixed solvent of methanol and glycerin over a wide temperature range (−45 to 50 °C). The gradient thermosensitivity, accuracy and reversibility of Tap‐S to the temperature in our strategy are achieved. Tap‐S can emit yellow fluorescence in the high‐viscosity mixed solution. By taking advantage of the viscosity measurement, the restricted intramolecular rotation mechanism of Tap‐S's fluorescence emission was effectively clarified. Furthermore, the potential use of Tap‐S to selective detect L‐phenylalanine of chiral amino acids has been successfully executed in the polarity aqueous solution at the room temperature (25 °C). The complex of Tap‐S and L‐phenylalanine can inhibit the rotation of the single bond of Tap‐S inducing the fluorescence emission. This work provides a novel strategy for the studies on not only the detection of temperature but also the enantiomers of chiral amino acids.
Identification of 1,3‐Substituted Pyrazole‐Based Carboxamide Derivatives as Potent Antitubercular Agents
Authors: Baliram Gaikwad Nikhil , Kumar Sahoo Santosh , Ommi Ojaswitha , Naiyaz Ahmad Mohammad , Pathan Afroz , Kaul Grace , Nanduri Srinivas , Dasgupta Arunava , Chopra Sidharth , Madhavi Yaddanapudi Venkata
Published: October 2022

In recent past, repurposing and subsequent medicinal chemistry efforts on anti‐obesity drug rimonabant has successfully delivered several pyrroles and pyrazole‐based hits active against Mycobacterium tuberculosis (Mtb). Herein, we report the synthesis and biological evaluation of a new series of 1,3‐substituted pyrazole containing carboxamide derivatives as potential antitubercular (anti‐TB) agents. Preliminary screening indicated substantial potency and selectivity towards Mtb H37Rv. Lead compounds when subjected to cell viability test demonstrated low cytotoxicity. Structural optimization of the most active compound (MIC 0.06 μg/mL) led to the identification of 3‐heteroaromatic substituted pyrazole derivatives amongst which the lead compound exhibited equipotent activity (MIC 0.03 μg/mL) against both drug‐susceptible (DS) and drug‐resistant (DR) Mtb besides high selectivity index (SI>333). Further, time‐kill assay found these optimum active compounds endowed with mycobactericidal efficacy. Potent in vitro activity, high selectivity along with mycobactericidal attributes establishes lead compounds of the series as promising antimycobacterial candidates for further development.
Synthesis and Performance Testing of a BODIPY Fluorescent Probe for the Detection of Doxycycline Residues in Water Environment
Authors: Ding Lingzhi , Guo Qing , Sun Xiaolong , Hu Gaowei , Hu Jiahuan , Fan Shunwu , Fu Yongqian
Published: October 2022

Doxycycline (DOX) has been used extensively in the control of animal diseases, which leads to its large‐scale accumulation in water and causes serious pollution problems. In this study, a BODIPY‐based fluorescent probe named DOX‐BOD was synthesized by a one‐pot method. The qualitative and quantitative detection of DOX was achieved by the specific response effect of DOX‐BOD on DOX. DOX‐BOD showed excellent performance and its fluorescence intensity decreased with the increase in DOX concentration. Besides, the detection limit was as low as 0.91 μM. The DOX detection method based on BODIPY fluorescent probe has good reproducibility and stability, and can be used for rapid and high‐sensitivity detection of DOX residues in the water environment, which is of great significance for environmental monitoring.
Mild Construction of “Midas Touch” Metal–Organic Framework‐Based Catalytic Electrodes for Highly Efficient Overall Seawater Splitting
Authors: Fan Jinli , Fu Chengyu , Liang Rikai , Lv Haiyang , Fang Chaosong , Guo Yanhui , Hao Weiju
Published: October 2022

Mild construction of highly efficient and durable practical electrodes for overall water splitting (OWS) at industrial‐grade current density is currently a significant challenge. Herein, metal–organic framework (MOF) materials are grown in situ on the surface of carbon cloth (CC) at 25 °C, and quickly “interspersed” by cobalt–boron (Co–B) via electroless plating for 30 min to obtain a highly efficient and stable CoB@MOF@CC self‐supporting electrode. Owing to the large specific surface area, abundant active sites, and porous structure, the MOF‐based CC modified by bamboo leaf‐like ultrathin CoB has remarkable electrochemical catalysis efficiency. The CoB@MOF@CC electrode exhibits excellent performance during the hydrogen evolution reaction (η10 = 57 mV, η500 = 266 mV) and oxygen evolution reaction (η10 = 209 mV, η500 = 423 mV) in alkaline simulated seawater, and is durable for 2500 h at 500 mA cm−2. The OWS performance is obviously enhanced by employing the prepared electrode, which only requires 1.49 V to achieve 10 mA cm−2 and is durable for over 360 h at industrial‐grade current densities in alkaline high‐salt, real seawater, rainwater, and urea electrolytes.
Enhanced Thermoelectric Performance in Black Phosphorene via Tunable Interlayer Twist
Authors: Duan Shuai , Cui Yangfan , Yi Wencai , Chen Xin , Yang Bingchao , Liu Xiaobing
Published: October 2022

Twist‐angle two‐dimensional (2D) systems are attractive in their exotic and tunable properties by the formation of the moiré superlattices, allowing easy access to manipulating intrinsic electrical and thermal properties. Here, the angle‐dependent thermoelectric properties of twisted bilayer black phosphorene (tbBP) by first‐principles calculations are reported. The simulations show that significantly enhanced Seebeck coefficient and power factor can be achieved in p‐type tbBP due to merging of the multi‐valley electronic states and flat moiré bands. Moreover, the twisted layers bring in a strong anharmonic phonon scattering and thus very low lattice thermal conductivity of 4.51 W m−1 K−1 at 300 K. Consequently, a maximal ZT value can be achieved in p‐type 10.11° tbBP along the armchair direction up to 0.57 and 1.06 at 300 and 500 K, respectively. The room‐temperature ZT value along the zigzag direction is also significantly increased by almost 40 times compared to pristine BP when the twist angle is close to 70.68°. This work demonstrates a platform to manipulate thermoelectric performance in 2D materials by creating moiré patterns, leading tbBP as a promising eco‐friendly candidate for thermoelectric applications.
3D Porous Compact 1D/2D Fe2O3/MXene Composite Aerogel Film Electrodes for All‐Solid‐State Supercapacitors
Authors: Luo Yijia , Tang Yi , Bin Xiaoqing , Xia Chenji , Que Wenxiu
Published: October 2022

2D MXene nanoflakes usually undergo serious restacking, that easily aggravates during the traditional vacuum‐assisted filtration process; and thus, hinders the electrochemical performance of the corresponding film electrodes. Herein, 3D porous compact 1D/2D Fe2O3/MXene aerogel film electrode with an enhanced electrochemical performance is fabricated by freeze‐drying assisted mechanical pressing. An introduction of 1D α‐Fe2O3 nanorods can not only alleviate the restacking of 2D MXene but also provide additional pseudocapacitance for the composite film system. Thus, the resulting Fe2O3/MXene aerogel film electrode shows an enhanced specific capacitance of 182 F g−1 (691 mF cm−2) at a current density of 1 A g−1 in 3 m H2SO4 electrolyte as well as with 81.74% capacitance retention after 10 000 charge–discharge cycles. Besides, the addition of 1D α‐Fe2O3 nanorods has a significant contribution in the volumetric capacitance of the composite aerogel film (150 F cm−3), which is 2.68 times that of the pure MXene aerogel film (56 F cm−3). Moreover, the fabricated all‐solid‐state symmetric supercapacitor (SSSC) delivers a superior areal energy density of 3.61 µWh cm−2 at a power density of 119.04 µW cm−2. This rapid‐forming 3D porous, binder‐free, and freestanding aerogel film provides a progressive strategy for the fabrication of MXene‐based electrode for supercapacitors.
Enhanced Pd/a‐WO3/VO2 Hydrogen Gas Sensor Based on VO2 Phase Transition Layer
Authors: Li Bowen , Wang Zhaowu , Zhao Shanguang , Hu Changlong , Li Liang , Liu Meiling , Zhu Jinglin , Zhou Ting , Zhang Guobin , Jiang Jun , Zou Chongwen
Published: October 2022

The utilization of clean hydrogen energy is becoming more feasible for the sustainable development of this society. Considering the safety issues in the hydrogen production, storage, and utilization, a sensitive hydrogen sensor for reliable detection is essential and highly important. Though various gas sensor devices are developed based on tin oxide, tungsten trioxide, or other oxides, the relatively high working temperature, unsatisfactory response time, and detection limitation still affect the extensive applications. In the current study, an amorphous tungsten trioxide (a‐WO3) layer is deposited on a phase‐change vanadium dioxide film to fabricate a phase transition controlled Pd/a‐WO3/VO2 hydrogen sensor for hydrogen detection. Results show that both the response time and sensitivity of the hydrogen sensor are improved greatly if increasing the working temperature over the transition temperature of VO2. Theoretical calculations also reveal that the charge transfer at VO2/a‐WO3 interface becomes more pronounced once the VO2 layer transforms to the metal state, which will affect the migration barrier of H atoms in a‐WO3 layer and thus improve the sensor performance. The current study not only realizes a hydrogen sensor with ultrahigh performance based on VO2 layer, but also provides some clues for designing other gas sensors with phase‐change material.
Profitability of Solar Photovoltaic Projects: A Sensitivity Analysis of Performance Loss Curves and Operation and Maintenance Expenses
Authors: Virtuani Alessandro , Morganti Luca
Published: October 2022

Literature highlights the fact that degradation curves are frequently not linear. This technical knowledge is, however, neglected by developers, which continues to use simplified linear degradation rates to assess the profitability of solar photovoltaic (PV) projects. Herein, the unleveraged equity interest return rate (IRR) of utility‐scale (50 MWp in size) PV projects deployed in different parts of Europe is computed and a sensitivity analysis of how the profitability of the plant is impacted when nonlinear degradation curves are used is carried out. In general, a 2‐step performance loss curve leads to the highest project‐IRRs at equal total loss, whereas the lowest IRRs are achieved if module degradation is undergoing a negative logarithmic or exponential curve. Further, the sensitivity of profitability to the different degradation trajectories increases at higher latitudes for which the absolute project‐IRR is lower. Then, a similar analysis is performed mimicking situations that would lead to a significant revamping of the PV plant after 10 years of operation. This allows us to identify thresholds for overall module degradation that would justify this kind of intervention. Finally, the impact that loss rates and combined operation–maintenance and insurance costs have on the project IRR is highlighted.