bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of prokaryotic communities in Southwestern Atlantic deep-sea sediments reveals prevalent methanol-oxidising Methylomirabilales
Authors: Peres Francielli V. , Paula Fabiana S. , Bendia Amanda G. , Gontijo Júlia B. , de Mahiques Michel M. , Pellizari Vivian H.
Published: August 2023

Continental slopes can play a significant contribution to marine productivity and carbon cycling. These regions can harbour distinct geological features, such as salt diapirs and pockmarks, in which their depressions may serve as natural sediment traps where different compounds can accumulate. We investigated the prokaryotic communities in surface (0–2 cm) and subsurface (18–20 or 22–24 cm) sediments from a salt diapir and pockmark field in Santos Basin, Southwest Atlantic Ocean. Metabarcoding of 16 samples revealed that surface sediments were dominated by the archaeal class Nitrososphaeria, while the bacterial class Dehalococcoidia was the most prevalent in subsurface samples. Sediment strata were found to be a significant factor explaining 27% of the variability in community composition. However, no significant difference was observed among geomorphological features. We also performed a metagenomic analysis of three surface samples and analysed the highest quality metagenome-assembled genome retrieved, which belonged to the family CSP1–5, phylum Methylomirabilota. This non-methanotrophic methylotroph contains genes encoding for methanol oxidation and Calvin Cycle pathways, along with diverse functions that may contribute to its adaptation to deep-sea habitats and to oscillating environmental conditions. By integrating metabarcoding and metagenomic approaches, we reported that CSP1–5 is prevalent in the sediment samples from Santos Basin slope, indicating the potential importance of methanol metabolism in this region. Finally, using a phylogenetic approach integrating 16S rRNA sequences assigned to Methylomirabilota in this study with those from a public database, we argued that CSP1–5 public sequences might be misclassified as Methylomirabilaceae (the methanotrophic clade) and, therefore, the role of these organisms and the methanol cycling could also be neglected in other environments.
Circadian typologies and insomnia in individuals with internet gaming disorder comorbid with attention deficit/hyperactivity disorder
Authors: Lin Yen Ju , Yen Ju-Yu , Lin Pai-Cheng , Liao Hui-Yuan , Ko Chih-Hung
Published: August 2023

The alteration in circadian typology and insomnia were prevalent among both Individuals with IGD and those with attention deficit hyperactivity disorder (ADHD), the most comorbid psychiatric disorder of IGD. This study aimed to evaluate the relationships between circadian typologies, insomnia, and internet gaming disorder (IGD) and how ADHD affects this relationship. We recruited three groups of 69 young adults: an IGD group, a control group comprising age- and sex-matched nongamers, and a group of gamers without IGD through diagnostic interviews. The participants with IGD exhibited lower composite scale of morningness (CSM) scores and thus a higher eveningness preference In addition, the score of Pittsburgh insomnia rating scale—20-item version (PIRS_20) was significantly higher among those with IGD. The participants with IGD and ADHD exhibited lower CSM scores but higher PRIS_20 scores than the participants with IGD but without ADHD. The present findings indicate that participants with IGD exhibited a tendency of eveningness preference and experienced more severe insomnia. ADHD exacerbated the eveningness preference and insomnia of individuals with IGD. Close attention should be paid to sleep problems in individuals with IGD, particularly to those with ADHD.
Development of sex-linked markers for gender identification of Actinidia arguta
Authors: Guo Dandan , Wang Ran , Fang Jinbao , Zhong Yunpeng , Qi Xiujuan
Published: August 2023

The fruit of the dioecious plant Actinidia arguta has become a great attraction recently. It has long been difficult to distinguish the genders of hybrid seedlings before flowering, therefore increasing the expenditures of breeding. To produce reliable molecular marker for gender identification, this research utilized whole-genome re-sequencing of 15 males and 15 females from an 8-year-old cross population to develop gender specific markers. P51 and P11 were identified as sex-linked markers after verification. Both of these markers, according to the PCR results, only amplified a single band in male samples. These two markers were tested in 97 hybrids (52 females and 45 males) and 31 wild individuals (13 females and 18 males), with an accuracy of 96.88% and 96.09%, correspondingly. This research also verified the universalities of the two markers in Actinidia chinensis samples, and it could be inferred from the PCR results that neither marker was applicable to A. chinensis samples. The BLAST results of the two markers demonstrated that the two markers were closely aligned with different parts of the Y male-specific region of A. chinensis genome, thus they were likely to be useful for the research on the mechanism of sex determination of A. arguta. The two male-linked makers, P51 and P11, have already been used in sex-identification of A. arguta seedlings.
Momordicae Semen inhibits migration and induces apoptotic cell death by regulating c-Myc and CNOT2 in human pancreatic cancer cells
Authors: Jee Wona , Ko Hyun Min , Park Do-Il , Park Ye-Rin , Park So-Mi , Kim Hyungsuk , Na Yun-Cheol , Jung Ji Hoon , Jang Hyeung-Jin
Published: August 2023

Pancreatic cancer(PC) is less common than other cancers; however, it has a poor prognosis. Therefore, studying novel target signaling and anticancer agents is necessary. Momordicae Semen (MS), the seed of Momordica sochinensis Spreng, mainly found in South-East Asia, including China and Bangladesh, is used to treat various diseases because of its anticancer, antioxidant, anti-inflammatory, and antibacterial properties. However, the effect of the MS extract on pancreatic cancer cells remains unknown. In this study investigated whether the MS extract exerted an anti-cancer effect by regulating c-Myc through CNOT2. Cytotoxicity and proliferation were investigated using MTT and colony formation assays. The levels of apoptotic, oncogenic, and migration-associated factors were confirmed using immunoblotting and immunofluorescence. Wound closure was analyzed using a wound healing assay. The chemical composition of the MS methanol extracts was analyzed using liquid chromatography–mass spectrometry. We confirmed that the MS extract regulated apoptotic factors and attenuated the stability of c-Myc and its sensitivity to fetal bovine serum. Furthermore, the MS extract increased apoptosis by regulating c-Myc and CNOT2 expression and enhanced the sensitivity of 5-FU in pancreatic cancer. This study showed that the MS extract is a promising new drug for PC.
A fluorometric assay to determine labile copper(II) ions in serum
Authors: Maares Maria , Haupt Alessia , Schüßler Christoph , Kulike-Koczula Marcel , Hackler Julian , Keil Claudia , Mohr Isabelle , Schomburg Lutz , Süssmuth Roderich D. , Zischka Hans , Merle Uta , Haase Hajo
Published: August 2023

Labile copper(II) ions (Cu2+) in serum are considered to be readily available for cellular uptake and to constitute the biologically active Cu2+ species in the blood. It might also be suitable to reflect copper dyshomeostasis during diseases such as Wilson’s disease (WD) or neurological disorders. So far, no direct quantification method has been described to determine this small Cu2+ subset. This study introduces a fluorometric high throughput assay using the novel Cu2+ binding fluoresceine-peptide sensor FP4 (Kd of the Cu2+-FP4-complex 0.38 pM) to determine labile Cu2+ in human and rat serum. Using 96 human serum samples, labile Cu2+was measured to be 0.14 ± 0.05 pM, showing no correlation with age or other serum trace elements. No sex-specific differences in labile Cu2+ concentrations were noted, in contrast to the total copper levels in serum. Analysis of the effect of drug therapy on labile Cu2+ in the sera of 19 patients with WD showed a significant decrease in labile Cu2+ following copper chelation therapy, suggesting that labile Cu2+ may be a specific marker of disease status and that the assay could be suitable for monitoring treatment progress.
RETRACTED ARTICLE: Energy efficient IRS assisted 6G network for Industry 5.0
Authors: Taneja Ashu , Rani Shalli , Raza Saleem , Jain Amar , Sefat Shebnam M.
Published: August 2023

The real world applications are more prone to difficulties of challenges due to fast growth of technologies and inclusion of artificial intelligence (AI) based logical solutions. The massive internet-of-things (IoT) devices are involved in number of Industry 5.0 applications like smart healthcare, smart manufacturing, smart agriculture, smart transportation. Advanced wireless techniques, customization of services and different technologies are experiencing a major transformation. The desire to increase the communication reliability without adding energy overhead is the major challenge for massive IoT enabled networks. To cope up with the above challenges, Industry 5.0 requirements needs to be monitored at the remote level which again adds on the communication challenge. Use of relays in 6G based wireless networks is denied due to high requirement of energy. Therefore in this paper, Intelligent reflecting surfaces (IRSs) assisted energy constrained 6G wireless networks are studied. To provide seamless connection between the communicating mobile nodes, IRS with an array of reflecting elements are configured in the system set up. A use-case scenario of IRS enabled network in Internet-of-Underwater things (IoUT) for smart ocean transportation is also provided. The IRS assisted wireless network is evaluated for target rates achieved. A power consumption model of the IRS supported system is also proposed to optimise the energy efficiency of the system. Further, the paper evaluates the impact of number of reflecting elements N on the IRS and the phase resolution b of each element on the system performance. The energy efficiency improves by 20% for IRS with $$N=100$$

N
=
100

with $$b=2$$

b
=
2

over IRS with $$b=1$$

b
=
1

.
Object-level complete coverage path planning for excavators in earthwork construction
Authors: Yao Ming , Feng Xianying , Li Peigang , Li Yanfei , Peng Zhiying , Lu Ziteng
Published: August 2023

Autonomous excavators are gradually gaining attention because they can reduce the waste of human resources and improve the efficiency. This study proposed a complete coverage path planning algorithm for autonomous excavators based on the Rotating Calipers Path Planning (RCPP) algorithm, which called the Excavator-Rotating Calipers Path Planning (E-RCPP) algorithm. This study uses boustrophedon cellular decomposition (BCD) to decompose the construction area to obtain the convex and non-convex sub-areas without obstacles, and describes a non-decomposition principle to determine whether to decompose non-convex areas that are difficult to plan. To obtain the optimal path, an adaptive spacing adjustment model which is used to adjust the spacing between parallel paths is designed. To improve the coverage rate at the corner, this study proposed a novel boundary corner turning method. The algorithm's cost function considers the path length, the number of turns, the coverage rate and the overlap rate. The Digital Orthophoto Map (DOM) of the construction area is created by Unmanned Aerial Vehicle (UAV) and cropped into three polygonal areas, the 2D top-views of the them are used for simulation experiments to verify the performance of E-RCPP algorithm, the results show that the E-RCPP algorithm has better performance when applied to the complete coverage path planning for excavator compared with the traditional RCPP algorithm.
Synthesis of highly fluorescent carbon quantum dots from rubber seed shells for the adsorption and photocatalytic degradation of dyes
Authors: Nizam Nurul Umairah M. , Hanafiah Marlia M. , Mahmoudi Ebrahim , Mohammad Abdul Wahab
Published: August 2023

The potentials of biomass-based carbon quantum dot (CQD) as an adsorbent for batch adsorption of dyes and its photocatalytic degradation capacity for dyes which are congo red (CR) and methylene blue (MB) have been conducted in this study. The CQDs properties, performance, behaviour, and photoluminescence characteristics were assessed using batch adsorption experiments which were carried out under operating conditions including, temperature, pH and dosage. The morphological analysis revealed that CQDs are highly porous, uniform, closely aligned and multi-layered. The presence of hydroxyl, carboxyl and carbonyl functional groups indicated the significance of the oxygenated functional groups. Spectral analysis of photoluminescence for CQDs confirmed their photoluminescent quality by exhibiting high excitation intensity and possessing greenish-blue fluorescence under UV radiation. The removal percentage of the dyes adsorbed for both CR and MB dyes was 77% and 75%. Langmuir isotherm and pseudo-second-order models closely fitted the adsorption results. Thermodynamics analysis indicated that the adsorption process was exothermic and spontaneous, with excellent reusability and stability. The degradation efficiency of CQDs on both dyes was more than 90% under sunlight irradiation and obeyed the first-order kinetic model. These results demonstrated CQDs to be an excellent adsorbent and outstanding photocatalyst for organic dye degradation.
Maximum Lyapunov exponent-based multiple chaotic slime mold algorithm for real-world optimization
Authors: Yang Jiaru , Zhang Yu , Jin Ting , Lei Zhenyu , Todo Yuki , Gao Shangce
Published: August 2023

Slime mold algorithm (SMA) is a nature-inspired algorithm that simulates the biological optimization mechanisms and has achieved great results in various complex stochastic optimization problems. Owing to the simulated biological search principle of slime mold, SMA has a unique advantage in global optimization problem. However, it still suffers from issues of missing the optimal solution or collapsing to local optimum when facing complicated problems. To conquer these drawbacks, we consider adding a novel multi-chaotic local operator to the bio-shock feedback mechanism of SMA to compensate for the lack of exploration of the local solution space with the help of the perturbation nature of the chaotic operator. Based on this, we propose an improved algorithm, namely MCSMA, by investigating how to improve the probabilistic selection of chaotic operators based on the maximum Lyapunov exponent (MLE), an inherent property of chaotic maps. We implement the comparison between MCSMA with other state-of-the-art methods on IEEE Congress on Evolution Computation (CEC) i.e., CEC2017 benchmark test suits and CEC2011 practical problems to demonstrate its potency and perform dendritic neuron model training to test the robustness of MCSMA on classification problems. Finally, the parameters’ sensitivities of MCSMA, the utilization of the solution space, and the effectiveness of the MLE are adequately discussed.
Experimental and spontaneous metastasis assays can result in divergence in clonal architecture
Authors: Serrano Antonin , Weber Tom , Berthelet Jean , El-Saafin Farrah , Gadipally Sreeja , Charafe-Jauffret Emmanuelle , Ginestier Christophe , Mariadason John M. , Oakes Samantha R. , Britt Kara , Naik Shalin H. , Merino Delphine
Published: August 2023

Intratumoural heterogeneity is associated with poor outcomes in breast cancer. To understand how malignant clones survive and grow in metastatic niches, in vivo models using cell lines and patient-derived xenografts (PDX) have become the gold standard. Injections of cancer cells in orthotopic sites (spontaneous metastasis assays) or into the vasculature (experimental metastasis assays) have been used interchangeably to study the metastatic cascade from early events or post-intravasation, respectively. However, less is known about how these different routes of injection impact heterogeneity. Herein we directly compared the clonality of spontaneous and experimental metastatic assays using the human cell line MDA-MB-231 and a PDX model. Genetic barcoding was used to study the fitness of the subclones in primary and metastatic sites. Using spontaneous assays, we found that intraductal injections resulted in less diverse tumours compared to other routes of injections. Using experimental metastasis assays via tail vein injection of barcoded MDA-MB-231 cells, we also observed an asymmetry in metastatic heterogeneity between lung and liver that was not observed using spontaneous metastasis assays. These results demonstrate that these assays can result in divergent clonal outputs in terms of metastatic heterogeneity and provide a better understanding of the biases inherent to each technique.
Multi-omic analyses reveal the unique properties of chia (Salvia hispanica) seed metabolism
Authors: Alejo-Jacuinde Gerardo , Nájera-González Héctor-Rogelio , Chávez Montes Ricardo A. , Gutierrez Reyes Cristian D. , Barragán-Rosillo Alfonso Carlos , Perez Sanchez Benjamin , Mechref Yehia , López-Arredondo Damar , Yong-Villalobos Lenin , Herrera-Estrella Luis
Published: August 2023

Chia (Salvia hispanica) is an emerging crop considered a functional food containing important substances with multiple potential applications. However, the molecular basis of some relevant chia traits, such as seed mucilage and polyphenol content, remains to be discovered. This study generates an improved chromosome-level reference of the chia genome, resolving some highly repetitive regions, describing methylation patterns, and refining genome annotation. Transcriptomic analysis shows that seeds exhibit a unique expression pattern compared to other organs and tissues. Thus, a metabolic and proteomic approach is implemented to study seed composition and seed-produced mucilage. The chia genome exhibits a significant expansion in mucilage synthesis genes (compared to Arabidopsis), and gene network analysis reveals potential regulators controlling seed mucilage production. Rosmarinic acid, a compound with enormous therapeutic potential, was classified as the most abundant polyphenol in seeds, and candidate genes for its complex pathway are described. Overall, this study provides important insights into the molecular basis for the unique characteristics of chia seeds.
Unambiguous joint detection of spatially separated properties of a single photon in the two arms of an interferometer
Authors: Sahoo Surya Narayan , Chakraborti Sanchari , Kanjilal Som , Behera Saumya Ranjan , Home Dipankar , Matzkin Alex , Sinha Urbasi
Published: August 2023

The quantum superposition principle implies that a particle entering an interferometer evolves by simultaneously taking both arms. If a non-destructive, minimally-disturbing interaction coupling a particle property to a pointer is implemented on each arm while maintaining the path superposition, quantum theory predicts that, for a fixed state measured at the output port, certain particle properties can be associated with only one or the other path. This phenomenon is known as the quantum Cheshire cat effect. Here we report the realization of this prediction through joint observation of the spatial and polarization degrees of freedom of a single photon in the two respective arms of an interferometer. Significant pointer shifts ( ~ 50 microns), corresponding to measured weak values, are observed in each arm. This observation, involving coupling distinct properties of a quantum system in spatially separated regions, opens new possibilities for quantum information protocols and for tests of quantumness for mesoscopic systems.
Chiral and helical states in selective-area epitaxial heterostructure
Authors: Sun Huimin , Huang Yu , He Mengyun , Fu Yu , Zheng Sikang , Zhang Bin , Wang Chen , He Qing Lin
Published: August 2023

The quasi-1D chiral edge states in a quantum anomalous Hall insulator are dissipationless, while the 2D helical surface states in a topological insulator are insensitive to spin-independent scatterings due to the topological protection. Both serve as essential ingredients for topological electronics. Here, we integrate these states into a single device using selective area epitaxy based on the molecular beam epitaxy technique. The chiral edge state comes from the quantum anomalous Hall insulator Cr:(Bi,Sb)2Te3, while the helical surface state comes from the intrinsic topological insulator (Bi,Sb)2Te3 which only interfaces with a partial edge of the former, forming a selective-area heterostructure. At the heterointerface, the chiral state in Cr:(Bi,Sb)2Te3 is allowed to be scattered into (Bi,Sb)2Te3 so that the incoming current will be redistributed according to the coordination between the chirality and helicity. Our device enables the collaboration between chiral and helical states for low-dissipative transport with tunable current dimension.
Harbingers of decades of unnatural disasters
Authors: Otto Friederike E. L. , Raju Emmanuel
Published: August 2023

Extreme weather events and their impacts have dominated headlines throughout 2021 and 2022. The emphasis on the weather in reports of the events, often discussed in the context of climate change, has led many to believe that these disasters would not have happened without human-induced warming. However, our compilation of severe weather-related hazards and the most severe related disasters in those two years reveals that ultimately, all the listed disasters resulted from existing vulnerabilities and compounding stresses on social systems. Climate change often made the hazard worse, but much of the damage could have been prevented. We emphasise that the reporting of disasters should routinely address not only the weather-related hazards and humans’ role in changing the odds, but also vulnerability in order to guide disaster risk reduction and avoid risk creation processes.
Climate justice through climate finance? Australia’s approach to climate finance in the Pacific
Authors: Ledger Ellen , Klöck Carola
Published: August 2023

Pacific Island actors have long called for climate justice in the international climate regime, particularly in the form of financial support. While climate finance can be conceptualised as a mechanism of climate justice, the extent to which climate finance does indeed contribute to climate justice is contested. We explore these contestations by looking at Australia’s development programme in the Pacific between 2010 and 2019, examining both policy documents and climate finance flows. This analysis is conducted through a climate justice lens that we conceptualise as consisting of three dimensions: adequacy, additionality, and predictability; balance between adaptation and mitigation and priority provision of adaptation finance to vulnerable recipients; and donor coordination. Our analysis shows that Australian public climate finance has not acted as a mechanism of climate justice according to our criteria in the period studied, even if does meet some criteria of climate justice. From a justice perspective, Australia has approached climate change inconsistently and at times incoherently across its development program in Pacific Island countries. These results provide important lessons for Australia’s approach going forward, under a new government and a new development policy framework.
China’s recycling potential of large-scale public transport vehicles and its implications
Authors: Xiong Xin , Zeng Xianlai , Zhang Zhengyang , Pell Robert , Matsubae Kazuyo , Hu Zhaoji
Published: August 2023

Transport infrastructure allows society to function. Such systems continuously improve through manufacturing transformation and technology upgrading. However, its metabolism mechanism of material degradation and quantities from consumption to obsolescence remains unclear. Here we estimate the recycling potential of typical large-scale public transport vehicles (LPTV) in China, in particular, predicting the end-of-life quantity of railway and aviation equipment between 2000 and 2050. Their total recycling potential has been experiencing rapid growth. The total obsolescence mass in 2020 exceeded 33 million tons, and it is expected to reach another 74 million tons by 2050, roughly twice the amount in 2020. By 2050, waste LPTV in China will contain at least 72 million tons of steel, 838 kilotons of aluminum, 2539 tons of titanium, and 223 tons of neodymium. We also compare waste LPTV to e-waste and end-of-life private vehicles. Interestingly, their growth of generation quantity indicates a distinct industry succession from an industrial ecological perspective.
A graphene-like BeS monolayer as a promising gas sensor material with strain and electric field induced tunable response: a first-principles study
Authors: Zaman Akib , Shahriar Rifat , Hossain S. M. Takvir , Akhond Md Rajbanul , Mumu Homayra Tabassum , Sharif Ahmed
Published: August 2023

Precise manipulation of gas adsorption and desorption in the BeS monolayer can be carried out by means of an electric field, such as a gate voltage in a 2D material transistor.
Co-activation of methane and nitrogen to acetonitrile over MoCx/Al2O3 catalysts
Authors: Trangwachirachai Korawich , Kao I-Ting , Huang Wei-Hsiang , Chen Chi-Liang , Lin Yu-Chuan
Published: August 2023

Methane and nitrogen were co-activated by MoCx/Al2O3 catalysts to produce acetonitrile.
Two-dimensional (2D) layered double metal cyanides as alternative catalysts for CO2/propylene oxide copolymerization
Authors: Penche Guillermo , González-Marcos María P. , González-Velasco Juan R. , Vos Cyler W. , Kozak Christopher M.
Published: August 2023

Layered 2D DMC complexes were first catalysts for green copolymerization of CO2 and PO to produce biodegradable and biocompatible polymers. The Co[Ni(CN)4] complex showed promising potential in this process and was further evaluated.
Organic additive for the selective C2-product formation on Cu(100): a density functional theory mechanistic study
Authors: Das Amitabha , Mandal Shyama Charan , Pathak Biswarup
Published: August 2023

Electrochemical CO2 reduction is a promising approach to increase the chemical feedstock of energetically valuable products, especially ethylene and ethanol.
Nitrogen doped CoP on ammoniated black phosphorus nanosheets enabling highly efficient hydrogen evolution electrocatalysis
Authors: Fang Liang , Xie Yanping , Xu Feiya , Wang Miao , Wang Gang
Published: August 2023

Two-dimensional nitrogen-doped cobalt phosphide/ammoniated black phosphorus heterostructure nanosheets were designed and used for hydrogen evolution electrocatalysis.
Observed in-plume gaseous elemental mercury depletion suggests significant mercury scavenging by volcanic aerosols
Authors: Koenig Alkuin M. , Magand Olivier , Rose Clemence , Di Muro Andrea , Miyazaki Yuzo , Colomb Aurelie , Rissanen Matti , Lee Christopher F. , Koenig Theodore K. , Volkamer Rainer , Brioude Jerome , Verreyken Bert , Roberts Tjarda , Edwards Brock A. , Sellegri Karine , Arellano Santiago , Kowalski Philippe , Aiuppa Alessandro , Sonke Jeroen E. , Dommergue Aurélien
Published: August 2023

We observed complete GEM depletion in a volcanic plume.
Functionalized boron nitride nanosheets conjugated with plant micronutrients as seed dressing agents towards control of bacterial wilt disease
Authors: Hao Li , Guan Mei , Zheng Qiangcheng , Zhou Minyan , Yin Ziting , Zhou Hongjun , Zhou Xinhua
Published: August 2023

A novel strategy for bacterial wilt disease control was proposed involving boron nitride nanosheets to immobilize plant micronutrients and form a defensive barrier in plant roots to block or inhibit the invasion of pathogen.
Nanoceramics-reinforced chitosan scaffolds in bone tissue engineering
Authors: Harini Ganesh , Bharathi Ramanathan , Sankaranarayanan Aravind , Shanmugavadivu Abinaya , Selvamurugan Nagarajan
Published: August 2023

An overview of nanobioceramics-reinforced chitosan combined with cells and growth factors for bone tissue engineering applications.
New Editor-in-Chief and Deputy Editor-in-Chief for MSDE: reflections and vision
Authors: Adjiman Claire S. , Ferguson Andrew L.
Published: August 2023

The new Editor-in-Chief, Claire S. Adjiman, and Deputy Editor-in-Chief, Andrew L. Ferguson, of Molecular Systems Design & Engineering reflect on the past, present, and future of the journal.
Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium
Authors: Pohorenec Ryan A. , Brennessel William W. , Jones William D.
Published: August 2023

Two new rhenium tricarbonyl complexes have been synthesized and structurally characterized. These compounds have been examined for catalytic activity in alcohol dehydrogenation and electrochemical CO2 reduction to form CO.
Advances in photochemical deposition for controllable synthesis of heterogeneous catalysts
Authors: Chen Guoli , Li Rengui , Huang Lei
Published: August 2023

In this review, we emphasize methods for controlling metal and metal oxide properties through photodeposition. We highlight their use in thermal and electrocatalysis, summarize achievements and challenges, and outline future research directions.
Effect on the conformation of monosubstituted pillar[5]arene: solvent, temperature, concentration and linker length
Authors: Fu Zhen , Jin Yanqing , Xie Bingqian , Liu Hui
Published: August 2023

A series of monosubstituted pillar[5]arenes bearing a fluorescent probe (E)-4-[4-(dimethylamino)styryl-]-1-pyridinium were synthesized. Their conformations were dependent on solvent polarity, concentration, temperature and linker length.
Design, synthesis and structure–activity relationship studies on erianin analogues as pyruvate carboxylase inhibitors in hepatocellular carcinoma cells
Authors: Shi Hailong , Yang Jinlian , Qiao Zeen , Li Lingyu , Liu Gang , Dai Qi , Xu Li , Jiao Wei , Zhang Guolin , Wang Fei , Lu Xiaoxia , Ma Xiaofeng
Published: August 2023

A total of 47 erianin analogues were designed, synthesized, and evaluated as pyruvate carboxylase inhibitors, two of which showed higher activity, better chemical stability, and higher log P values than erianin itself.
Energetic isostructural metal imidazolate frameworks with a bridging dicyanamide linker towards high-performance hypergolic fuels
Authors: Bian Hong-Yi , Yan Yun-Fan , Cui Meng , Song Tian-Tian , Guo Xiao-Di , Xu Jian-Gang , Zheng Fa-Kun , Guo Guo-Cong
Published: August 2023

High energy anions N(CN)2− were successfully introduced into two isostructural HMOFs by molecular design toward enhanced hypergolicity.
Correction: Porous RuO2-Co3O4/C nanocubes as high-performance trifunctional electrocatalysts for zinc–air batteries and overall water splitting
Authors: Shi Jingyi , Wang Niannian , Du Wenhao , Feng Yi , Yu Xin-Yao
Published: August 2023

Correction for ‘Porous RuO2-Co3O4/C nanocubes as high-performance trifunctional electrocatalysts for zinc–air batteries and overall water splitting’ by Jingyi Shi et al., Mater. Chem. Front., 2023, https://doi.org/10.1039/D3QM00507K.
Copper-catalyzed Markovnikov hydroboration of aliphatic terminal alkenes using carbonyl as a weak directing group
Authors: Feng Cancan , Tang Luqing , Yang Fan , Wu Yangjie
Published: August 2023

A copper-catalyzed hydroboration of unactivated alkenes using carbonyl as a weak directing group was disclosed with exclusive Markovnikov regioselectivity.
NiCo2O4 nano-needles as an efficient electro-catalyst for simultaneous water splitting and dye degradation
Authors: Bilal Muhammad , Altaf Amna , Bint-E-Khalid Ehmen , Zafar Hafiza Komal , Tahir Nimrah , Nafady Ayman , Wahab Md A. , Shah Syed Shoaib Ahmad , Najam Tayyaba , Sohail Manzar
Published: August 2023

NiCo2O4 is an efficient and non-precious bifunctional catalyst capable of performing water splitting and organic effluent degradation simultaneously in wastewater.
Efficient oxidation of benzyl alcohol into benzaldehyde catalyzed by graphene oxide and reduced graphene oxide supported bimetallic Au–Sn catalysts
Authors: Liu Lili , Zhou Xiaojing , Xin Chunling , Zhang Baoli , Zhang Guangman , Li Shanshan , Liu Li , Tai Xishi
Published: August 2023

The Au–Sn bimetallic catalysts supported on GO and rGO prepared by two-step immobilization showed the excellent catalytic performance for the selective oxidation of benzyl alcohol to benzaldehyde under moderate conditions.
Spectral properties and self-reduction of Eu3+ to Eu2+ in aluminosilicate oxyfluoride glass
Authors: Liu Lei , Shao Xianying , Zhang Zhenyuan , Liu Jiayu , Hu Yuebo , Zhu Chaofeng
Published: August 2023

We found that the reduction Eu3+→Eu2+ occurred in aluminosilicate oxyfluoride glass prepared in air. The energy transfer from Eu2+ to Eu3+ and the emission mechanisms of Eu2+ were discussed.
Insight into the synergetic, steric and energetic properties of zeolitization and cellulose fiber functionalization of diatomite during the adsorption of Cd(ii): advanced equilibrium studies
Authors: Abukhadra Mostafa R. , Saad Islam , Al Othman Sarah I. , Alfassam Haifa E. , Allam Ahmed A.
Published: August 2023

The adsorption potentiality of zeolitized diatomite (ZD) frustules and their cellulose hybridized (C/ZD) product for Cd(ii) ions was assessed in synergetic studies to investigate the impact of the modification processes.
Synthesis of a pyridine-based covalent organic framework as an efficient adsorbent for rhodamine B removal
Authors: Chang Kejian , Huang Huijuan , Meng Yuandong , Ju Zidan , Song Haiyan , Zhang Liang , Niu Xiaoqin , Li Zhi-Jun
Published: August 2023

In this study, a novel pyridine-based two-dimensional covalent organic framework with excellent performance for removal of Rh B was constructed.
Facile one-step hydrothermal synthesis of monolayer and turbostratic bilayer n-doped graphene quantum dots using sucrose as a carbon source
Authors: Ruammaitree Akkawat , Praphanwong Kanyaporn , Taiphol Arunocha
Published: August 2023

In this study, the thickness distribution and interlayer spacing of n-doped graphene quantum dots are revealed by X-ray diffraction curve fitting, which is calculated using a simple and accurate equation.
Gram-scale synthesis of MIL-125 nanoparticles and their solution processability
Authors: Fabrizio Kevin , Gormley Eoghan L. , Davenport Audrey M. , Hendon Christopher H. , Brozek Carl K.
Published: August 2023

Although metal–organic framework (MOF) photocatalysts have become ubiquitous, basic aspects of their photoredox mechanisms remain elusive.
Photoinduced iron-catalyzed C–H alkylation of polyolefins
Authors: Zhang Zongnan , Zhang Yanfeng , Zeng Rong
Published: August 2023

A method for chemically introducing diverse polar groups into polyolefins via photoinduced iron-catalyzed C–H bond alkylation is reported. Diverse functional groups and polyolefins could be tolerated, and the multiply functionalized polymer could be synthesized through a module-assembled process.
Unravelling the role of iron carbide in oxygen reduction catalysts for rechargeable zinc–air batteries: a comprehensive kinetics & mechanistic study
Authors: Gopal S. Arya , Eledath Anook Nazer , Muthukrishnan Azhagumuthu
Published: August 2023

Roles of Fe3C and Fe–Nx in N-doped Fe3C containing carbon materials as an efficient bifunctional electrocatalysts for zinc–air battery.
Data-driven design of double-atom catalysts with high H2 evolution activity/CO2 reduction selectivity based on simple features
Authors: Wei Chenyang , Shi Dingyi , Yang Zhaohui , Xue Zhimin , Liu Shuzi , Li Ruiqi , Mu Tiancheng
Published: August 2023

Double-atom catalysts (DACs) were designed and analyzed using DFT and machine learning (ML) methods. ML can not only identify the activity center for DACs but also help screen DACs with higher HER or CO2RR activity.
A temperature-responsive artificial light-harvesting system in water with tunable white-light emission
Authors: Xiao Tangxin , Ren Dongxing , Tang Lu , Wu Zhiying , Wang Qi , Li Zheng-Yi , Sun Xiao-Qiang
Published: August 2023

A tadpole-type amphiphilic monomer containing cyanostilbene and oligo(ethylene glycol) chains has been designed and synthesized, which can be used to construct a thermo-responsive light-harvesting system in water with tunable white-light emission.
A physico-chemo-electrochemically coupled stable interface for high-capacity and durable aqueous zinc metal batteries
Authors: Wang Gege , Zhang Feifan , Ma Caiyu , Yang Jianhua , Chi Xiaowei , Liu Yu
Published: August 2023

A zinc anode/aqueous electrolyte interface was designed via physical adsorption, chemical protection, and electrochemical induction for dendrite-free, highly reversible and durable aqueous zinc metal batteries.
Mitigating phosphoric acid migration in high temperature polymer electrolyte membrane fuel cells with hydrophobic polysilsesquioxane-based binders
Authors: Yoo Dong-Yeop , Jung Jiyoon , Park Young Sang , Choi Gwan Hyun , Yoon Ho Gyu , Hwang Seung Sang , Lee Albert S.
Published: August 2023

Binders prepared through crosslinking of organosilsesquioxanes were subjected to various physical, thermal, and electrochemical property analyses for high temperature polymer electrolyte membrane fuel cells.
Synthesis and evaluation of poly(propylene fumarate)-grafted graphene oxide as nanofiller for porous scaffolds
Authors: Pandele Andreea M. , Selaru Aida , Dinescu Sorina , Costache Marieta , Vasile Eugeniu , Dascălu Constanţa , Raicopol Matei D. , Teodorescu Mircea
Published: August 2023

In the current study we report the synthesis and characterization of PPF/PVP-based nanocomposite porous scaffolds employing PPF-grafted GO (GO@PPF) as reinforcing agent.
Epitaxial Co on GaN by decomposition of template CoO
Authors: Qiu Nianqi , Xing Wandong , Yu Rong , Meng Fanyan
Published: August 2023

Metal/semiconductor heterojunctions have attracted interest for many years due to their importance in electronic device applications.
Variable stiffness and fast-response soft structures based on electrorheological fluids
Authors: Jing Huilan , Hua Letian , Long Fei , Lv Bojin , Wang Bing , Zhang Hewen , Fan Xunye , Zheng Hongru , Chu Chengyi , Xu Gaojie , Guo Jianjun , Sun Aihua , Cheng Yuchuan
Published: August 2023

A soft structure with continuously variable stiffness and fast response was designed. Varying the electric field strength (0 to 4.5 kV mm−1), the rate of stiffness variation is over 1500%. The response time to load change is within 65 ms.
Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes via computational modeling
Authors: Herzhoff Robert , Negri Fabrizia , Meerholz Klaus , Fazzi Daniele
Published: August 2023

Triphenylamine derivatives (TPAs) are known for their semiconducting charge transport and redox properties. We explore computationally the charge transport processes in amorphous and single crystalline phases of four different TPAs.
Single-component compounds with wide-range color-tunable ultralong organic phosphorescence
Authors: Sun Weitao , Dai Xianyin , Ge Haiyan , Meng Xianfeng , Duan Guiyun , Ge Yanqing
Published: August 2023

Simple triphenylmethane derivative-based single-component phosphors that possess multicolor (from cyan (460 nm) to orange-red (626 nm)) and ultralong lifetime (1.17 s) are reported.
Sedimentation and its effect on storage capacity in Naghlu reservoir
Authors: Bazarov Dilshod , Ahmadi Mahfouz , Vohidov Oybek , Shodiev Bobur , Raimova Iqboloy
Published: August 2023

The Naghlu reservoir has been studied to determine the level of siltation and sedimentation characteristics in the reservoir bed. The study was fulfilled in two phases, i.e., field survey and laboratory work for determining the level of siltation and carrying out the grain size analyses of the collected sediment samples at 34 locations representing the whole reservoir area.

The Naghlu Dam is a gravity dam which has been built to generate electricity. The dam was built on the Kabul River. Two main tributaries of the Kabul River, i.e., the Kabul and the Panjshir, feed the reservoir. The catchment area of Kabul and Panjshir tributaries feeding the Naghlu reservoir is around 26,000 km2. The reservoir’s surface area is around 15.5 square kilometers, and the volume is 550 million m3 at the normal operation level; the useful volume of the reservoir is around 380 million m3. Dam provides 100 MW of electricity for the surrounding areas, including Kabul and Jalalabad.
The function of coefficients of added mass of water
Authors: Bestuzheva Alexandra , Gotsiridze George
Published: August 2023

The hydrodynamic effect of the water mass of the reservoir on the pressure face of the dam can be determined from the function of the coefficient of the added mass of water obtained in the Westergard solution. For an inclined pressure face, the design standards introduce a correction factor, which is recommended to be taken into account until the slope of the pressure face does not exceed 150; there are no such recommendations for earth dams, however, in the calculations of seismic resistance of earth dams, taking into account hydrodynamic water pressure is also important. Theoretically, the values of the coefficients of the added mass of water can be determined based on the numerical solution of the Laplace equation in the computational domain with given boundary conditions and the graphical-analytical construction of a hydrodynamic grid. Thus, in the MATLAB environment, computational schemes were built for different laying of the pressure head of the dam in the range from vertical to flat with laying 1:3, and orthogonal hydrodynamic grids were built, reflecting the solution of the Laplace equations concerning the functions of pressure and velocity potentials. For all problems, diagrams of the coefficients of the added mass of water are constructed, and they are compared with the Westergaard analytical solution. For practical use in the work, all solutions for constructing diagrams of the coefficients of the added mass of water are presented in the form of a nomogram.
Instrumental inspection of pressure pipelines of the Amuzang-2 pumping station
Authors: Shaazizov Farrukh
Published: August 2023

This article discusses the main results of the field studies conducted to assess the technical condition of the pressure pipelines of the Amuzang-2 pumping station. The research aims to check the stress-strain state of the pipeline material, which occurs during long-term operation under conditions of corrosive and abrasive wear of the shell. The research objectives were as follows: measuring the thickness of the shell of pressure pipelines of the pumping station; verification calculation of the strength of pumping station pipelines. During the research, the method of carrying out full-scale measurements using an ultrasonic device to determine the thickness of the pipeline shell and the method of calculating the stress-strain state of the pipeline material that occurs during long-term operation under conditions of corrosive and abrasive wear of the shell were used. The verification calculation was carried out for the strength of the shell material and the stability of the shape of its section: from the action of external pressure (vacuum in the pipeline), buckling, like a rod, under the action of internal pressure. According to the studies carried out, the pipelines can withstand the maximum vacuum, and the static buckling strength of the pipelines is ensured.
Strength investigations of foundation of allocation of main structures of Pskem hydropower station on Pskem river
Authors: Inom Madjidov , Komil Nazarov , Masharif Bakiev , Kuvonchbek Yakubov , Turavoy Muslimov , Kholmurod Khayitov
Published: August 2023

This paper presents the results of geomechanical studies of the siltstone massif experimental carried out in the right-bank adit at the site of the Pskem HPP dam. Primary shear experiments were carried out at 6 normal pressures on the stamp σ: 0.5 MPa; 1.0 MPa; 1.5 MPa; 2.0 MPa, 2.5 MPa, and 3.0 MPa.
Estimation of hydrodynamic loads acting on downstream fastening plates of low-pressure tubular structures
Authors: Burlachenko Alena , Chernykh Olga , Bazarov Dilshod , Vokhidov Oybek
Published: August 2023

In the article are presented the results of the state analysis of low-pointed tubular culverts widely used in land reclamation and fisheries construction, the lower pool of which is made in the form of an expanding socket with a central angle of 300 to 600 and checker-type energy absorbers. Field surveys have shown that only in the Moscow region such structures, built mainly in the 60-70s of the last century, makeup 76% of the total number of structures on water systems. The condition is from 70% to 85% of them, depending on the region unsatisfactory: the dampers are deformed and even shifted, the lining of the water break and the apron is destroyed, excessive erosion is observed in the discharge channel. The results of experimental studies of the averaged and pulsating pressure on the downstream attachment elements (the bottom of the water break in the flooded hydraulic jump zone and the initial sections of the apron), performed at Reynolds numbers (20...75) 103 on a model installation of a 3-point sluice-regulator, showed that a change in the angle of the bell and the energy parameter within 1.5...4.5 does not affect the nature of the longitudinal and transverse distribution diagrams of the average pressure in the bell and behind it. As a result, universal schemes of static loading by a vertical averaged load from a surface flow have been developed. In the discharge channel and on the slopes, the pressure fluctuation occurs mainly due to surface disturbance; therefore, a low-frequency component is traced on the autocorrelation functions, which also determines the spectrum's shape. It is proved that when constructing a quasi-static loading of plates by an instantaneous pulsating load for an expanding water break with triangular spreaders and checker-type dampers, it is possible to correctly use the longitudinal and transverse correlations corresponding to spatial turbulence and on the apron-homogeneous. The maximum amplitude of the pulsating load on plates of any size should be calculated with a transition coefficient equal to approximately 3.85 for apron plates and no more than 4.5 for water breakage. The results obtained make it possible to perform the entire complex of calculations to assess the stability of various elements of the downstream structures of the considered typology.
Determination of optimal parameters of pumping unit of pumped storage power plant operating using solar energy
Authors: Urishev B. , Doniyorov T. , Kuvatov U. , Urishova D.
Published: August 2023

This article provides information on the importance of hydroelectric power plants with a capacity of 0.1...10 MW in energy systems and their advantages. Based on published sources on this issue, the parameters of a small pumped storage power plant proposed by the hybrid renewable modular closed-loop scalable (h-mcs-PSH) and Shell Energy North America (SENA) with a corrugated steel upper and a floating membrane lower reservoir are analyzed and the effectiveness of their use, taking into account the conditions in the Republic of Uzbekistan, was noted. The graph analytical methodology for determining the optimal parameters and operating modes of pumping units based on the criteria of maximum use of photoelectric plant power and minimization of consumption energy in supplying pumping units of small-capacity hydroelectric power stations with solar panel electricity is presented. The results of calculations based on this methodology are given.
Spatial problem of water distribution in open channels
Authors: Bazarov O. Sh. , Babazhanova I. Y. , Babazhanov Y. , Karshiev R. Dj. , Zaripov M. B.
Published: August 2023

The article discusses the spatial problem of cold water movement in an open channel water distribution system through a door in a side wall. The formula for calculating the amount of cold water flowing through the channel is based on the cross-sectional area of the main channel. It is presented in terms of the velocity and depth of the water surface.