bluuebunny/crossref_metadata_2025 huggingface dataset:
ZnFe2O4@SiO2@L-lysine@SO3H: preparation, characterization, and its catalytic applications in the oxidation of sulfides and synthesis of Bis(pyrazolyl)methanes
Authors: Ghanbarpour Amir , Ghorbani-Choghamarani Arash , Aghavandi Hamid , Jafari Ahmad
Published: March 2024

Herein, we report the synthesis of ZnFe2O4@SiO2@L-lysine@SO3H as a green, novel magnetic nanocatalyst, containing the sulfuric acid catalytic sites on the surface of zinc ferrite as the catalytic support. The physical and chemical properties of raw and modified samples (ZnFe2O4@SiO2@L-lysine@SO3H) were characterized by TGA, EDX, PXRD, Map, and FTIR analyses. The prepared nanocatalyst has excellent catalytic activity in synthesizing the oxidation of sulfides to the sulfoxides and Synthesis of pyrazolyl (Bis(pyrazolyl)methane) derivatives under green conditions. This designed nanocatalyst offers several advantages including the use of inexpensive materials and high yield, simple procedure, and commercially available. The synthesized mesoporous nanocatalyst was recovered and reused in five continuous cycles without considerable change in its catalytic activity.
In major dysmood disorder, physiosomatic, chronic fatigue and fibromyalgia symptoms are driven by immune activation and increased immune-associated neurotoxicity
Authors: Maes Michael , Almulla Abbas F. , Zhou Bo , Algon Ali Abbas Abo , Sodsai Pimpayao
Published: March 2024

Major depressive disorder (MDD) is accompanied by activated neuro-immune pathways, increased physiosomatic and chronic fatigue-fibromyalgia (FF) symptoms. The most severe MDD phenotype, namely major dysmood disorder (MDMD), is associated with adverse childhood experiences (ACEs) and negative life events (NLEs) which induce cytokines/chemokines/growth factors. To delineate the impact of ACE + NLEs on physiosomatic and FF symptoms in first episode (FE)-MDMD, and examine whether these effects are mediated by immune profiles. ACEs, NLEs, physiosomatic and FF symptoms, and 48 cytokines/chemokines/growth factors were measured in 64 FE-MDMD patients and 32 normal controls. Physiosomatic, FF and gastro-intestinal symptoms belong to the same factor as depression, anxiety, melancholia, and insomnia. The first factor extracted from these seven domains is labeled the physio-affective phenome of depression. A part (59.0%) of the variance in physiosomatic symptoms is explained by the independent effects of interleukin (IL)-16 and IL-8 (positively), CCL3 and IL-1 receptor antagonist (inversely correlated). A part (46.5%) of the variance in physiosomatic (59.0%) symptoms is explained by the independent effects of interleukin (IL)-16, TNF-related apoptosis-inducing ligand (TRAIL) (positively) and combined activities of negative immunoregulatory cytokines (inversely associated). Partial least squares analysis shows that ACE + NLEs exert a substantial influence on the physio-affective phenome which are partly mediated by an immune network composed of interleukin-16, CCL27, TRAIL, macrophage-colony stimulating factor, and stem cell growth factor. The physiosomatic and FF symptoms of FE-MDMD are partly caused by immune-associated neurotoxicity due to T helper (Th)-1 polarization and M1 macrophage activation and relative lowered compensatory immunoregulatory protection.
Development and validation of a semi-automated and unsupervised method for femur segmentation from CT
Authors: Aldieri Alessandra , Biondi Riccardo , La Mattina Antonino A. , Szyszko Julia A. , Polizzi Stefano , Dall’Olio Daniele , Curti Nico , Castellani Gastone , Viceconti Marco
Published: March 2024

Quantitative computed tomography (QCT)-based in silico models have demonstrated improved accuracy in predicting hip fractures with respect to the current gold standard, the areal bone mineral density. These models require that the femur bone is segmented as a first step. This task can be challenging, and in fact, it is often almost fully manual, which is time-consuming, operator-dependent, and hard to reproduce. This work proposes a semi-automated procedure for femur bone segmentation from CT images. The proposed procedure is based on the bone and joint enhancement filter and graph-cut algorithms. The semi-automated procedure performances were assessed on 10 subjects through comparison with the standard manual segmentation. Metrics based on the femur geometries and the risk of fracture assessed in silico resulting from the two segmentation procedures were considered. The average Hausdorff distance (0.03 ± 0.01 mm) and the difference union ratio (0.06 ± 0.02) metrics computed between the manual and semi-automated segmentations were significantly higher than those computed within the manual segmentations (0.01 ± 0.01 mm and 0.03 ± 0.02). Besides, a blind qualitative evaluation revealed that the semi-automated procedure was significantly superior (p < 0.001) to the manual one in terms of fidelity to the CT. As for the hip fracture risk assessed in silico starting from both segmentations, no significant difference emerged between the two (R2 = 0.99). The proposed semi-automated segmentation procedure overcomes the manual one, shortening the segmentation time and providing a better segmentation. The method could be employed within CT-based in silico methodologies and to segment large volumes of images to train and test fully automated and supervised segmentation methods.
Ultra-thin flexible rectenna integrated with power management unit for wireless power harvester/charging of smartwatch/wristband
Authors: Singh Neeta , Khan Taimoor , Kumar Sachin , Kanaujia Binod Kumar , Choi Hyun Chul , Kim Kang Wook , Rambabu Karumudi , Rengarajan Sembiam R. , Kishk Ahmed A.
Published: March 2024

This paper proposes a circularly polarized ultra-thin flexible antenna with a flexible rectifier and power management unit (PMU) for smartwatch/wristband applications. The flexible antenna is compact (0.17λ0 × 0.20λ0 × 0.0004λ0) and has a stepped ground plane. A parasitic element is used at the substrate bottom to reduce the specific absorption rate (SAR) and enhance the gain up to 3.2 dBi, at the resonating frequency of WLAN/Wi-Fi (2.45 GHz). The SAR of the proposed design is also analysed at the resonating frequency, and it satisfies the guidelines of the International Commission on Non-Ionizing Radiation Protection (ICNIRP) and IEEE C95.1–2019 human safety standards. An impedance matching circuit is used between the antenna and the RF energy harvester to improve conversion efficiency. Polarization mismatch is avoided with the help of circular polarization, achieved by tuning stubs of size 0.02λ0 × 0.044λ0. The integration of the antenna and rectenna results in a good conversion efficiency of 78.2% at − 5 dBm of input power with a load resistance of 2 KΩ. The availability of RF signals allows the user to charge the smartwatch/wristband by connecting the PMU circuit with the RF energy harvester.
Coumarin linked to 2-phenylbenzimidazole derivatives as potent α-glucosidase inhibitors
Authors: Ganjeh Mina Sadeghi , Mazlomifar Ali , Shahvelayti Ashraf Sadat , Moghaddam Shiva Khalili
Published: March 2024

α-Glucosidase inhibitors have emerged as crucial agents in the management of type 2 diabetes mellitus. In the present study, a new series of coumarin-linked 2-phenylbenzimidazole derivatives 5a–m was designed, synthesized, and evaluated as anti-α-glucosidase agents. Among these derivatives, compound 5k (IC50 = 10.8 µM) exhibited a significant inhibitory activity in comparison to the positive control acarbose (IC50 = 750.0 µM). Through kinetic analysis, it was revealed that compound 5k exhibited a competitive inhibition pattern against α-glucosidase. To gain insights into the interactions between the title compounds and α-glucosidase molecular docking was employed. The obtained results highlighted crucial interactions that contribute to the inhibitory activities of the compounds against α-glucosidase. These derivatives show immense potential as promising starting points for developing novel α-glucosidase inhibitors.
Morphology of the papilla can predict procedural safety and efficacy of ERCP—a systematic review and meta-analysis
Authors: Tari Edina , Gagyi Endre Botond , Rancz Anett , Veres Dániel Sándor , Váncsa Szilárd , Hegyi Péter Jenő , Hagymási Krisztina , Hegyi Péter , Erőss Bálint
Published: March 2024

Endoscopic Retrograde Cholangiopancreatography (ERCP) is the primary therapeutic procedure for pancreaticobiliary disorders, and studies highlighted the impact of papilla anatomy on its efficacy and safety. Our objective was to quantify the influence of papilla morphology on ERCP outcomes. We systematically searched three medical databases in September 2022, focusing on studies detailing the cannulation process or the rate of adverse events in the context of papilla morphology. The Haraldsson classification served as the primary system for papilla morphology, and a pooled event rate with a 95% confidence interval was calculated as the effect size measure. Out of 17 eligible studies, 14 were included in the quantitative synthesis. In studies using the Haraldsson classification, the rate of difficult cannulation was the lowest in type I papilla (26%), while the highest one was observed in the case of type IV papilla (41%). For post-ERCP pancreatitis, the event rate was the highest in type II papilla (11%) and the lowest in type I and III papilla (6–6%). No significant difference was observed in the cannulation failure and post-ERCP bleeding event rates between the papilla types. In conclusion, certain papilla morphologies are associated with a higher rate of difficult cannulation and post-ERCP pancreatitis.
An effective COVID-19 vaccine hesitancy intervention focused on the relative risks of vaccination and infection
Authors: Byerley Cameron O’Neill , Horne Dru , Gong Mina , Musgrave Stacy , Valaas Laura A. , Rickard Brian , Yoon Hyunkyoung , Park Min Sook , Mirin Alison , Joshua Surani , Lavender Heather , You Sukjin
Published: March 2024

We designed the Relative Risk Tool (RRT) to help people assess the relative risks associated with COVID-19 vaccination and infection. In May 2022 (N = 400) and November 2022 (N = 615), U.S. residents participated in a survey that included questions about the risks of vaccination and infection. In both cohorts, we found an association between relative risk perception and vaccine hesitancy. Participants in the May cohort were randomly assigned an intervention: to see information from the RRT or the Centers for Disease Control and Prevention (CDC). After the intervention, participants answered the same questions about risk perception and vaccination intent again. The RRT was more effective than the CDC at changing risk perception and increasing vaccination intent. In November, the survey structure was the same, but the RRT was the only intervention included, and we confirmed that the RRT was effective at changing opinions in this new sample. Importantly, the RRT provided accurate information about the risks of serious adverse outcomes to vaccination and still increased vaccination intent. Our work suggests that the RRT helps people assess relative risk, which can in turn help empower them to make informed decisions and ultimately reduce vaccine hesitancy.
Escherichia coli has an undiscovered ability to inhibit the growth of both Gram-negative and Gram-positive bacteria
Authors: Kastrat Ertan , Cheng Hai-Ping
Published: March 2024

The ability for bacteria to form boundaries between neighboring colonies as the result of intra-species inhibition has been described for a limited number of species. Here, we report that intra-species inhibition is more common than previously recognized. We demonstrated that swimming colonies of four Escherichia coli strains and six other bacteria form inhibitory zones between colonies, which is not caused by nutrient depletion. This phenomenon was similarly observed with non-flagellated bacteria. We developed a square-streaking pattern assay which revealed that Escherichia coli BW25113 inhibits the growth of other E. coli, and surprisingly, other Gram-positive and negative bacteria, including multi-drug resistant clinical isolates. Altogether, our findings demonstrate intra-species inhibition is common and might be used by E. coli to inhibit other bacteria. Our findings raise the possibility for a common mechanism shared across bacteria for intra-species inhibition. This can be further explored for a potential new class of antibiotics.
The influence of UV radiation on the properties of GFRP laminates in underwater conditions
Authors: Smoleń Jakub , Olesik Piotr , Nowacki Bartłomiej , Godzierz Marcin , Kurtyka Klaudia , Chaber Paweł , Czakiert Jan , Kozioł Mateusz
Published: March 2024

Degradation of polymer composites is a significant problem in many engineering aspects. Due to the interaction of various degradation factors during the exploitation of composites, a synergistic effect of destruction is observed. The article describes the phenomena occurring in glass fiber reinforced polyester laminates under the influence of ultraviolet radiation (UV) in an aquatic environment. The laminates were exposed to UV-A, UV-B and UV-C radiation for 1000 h in free-air and underwater conditions. During the test, the materials were immersed at stable depth of 1 mm and 10 mm, respectively. The three-point bending tests performed on the samples after being exposed to UV showed an increase in the flexural strength of the composites. Simultaneously, degradation of the outer surface layer was observed. The degradation removed the thin resin film from the surface which resulted in a direct exposure of the reinforcing fibers to the environment. The transformations taking place in the deeper layers of the composite increased the mechanical strength due to the additional cross-linking reactions excited by the energy arising from the radiation. Moreover, the formation of polymer structures from free styrene remaining after the technological process and the occurrence of free radical reactions as a result of the cage effect was also observed.
Comprehensive study on the Python-based regression machine learning models for prediction of uniaxial compressive strength using multiple parameters in Charnockite rocks
Authors: Kochukrishnan Sowmya , Krishnamurthy Premalatha , D. Yuvarajan , Kaliappan Nandagopal
Published: March 2024

The strength of rock under uniaxial compression, commonly known as Uniaxial Compressive Strength (UCS), plays a crucial role in various geomechanical applications such as designing foundations, mining projects, slopes in rocks, tunnel construction, and rock characterization. However, sampling and preparation can become challenging in some rocks, making it difficult to determine the UCS of the rocks directly. Therefore, indirect approaches are widely used for estimating UCS. This study presents two Machine Learning Models, Simple Linear Regression and Step-wise Regression, implemented in Python to calculate the UCS of Charnockite rocks. The models consider Ultrasonic Pulse Velocity (UPV), Schmidt Hammer Rebound Number (N), Brazilian Tensile Strength (BTS), and Point Load Index (PLI) as factors for forecasting the UCS of Charnockite samples. Three regression metrics, including Coefficient of Regression (R2), Root Mean Square Error (RMSE), and Mean Absolute Error (MAE), were used to evaluate and compare the performance of the models. The results indicate a high predictive capability of both models. Notably, the Step-wise model achieved a testing R2 of 0.99 and a training R2 of 0.988 for predicting Charnockite strength, making it the most accurate model. The analysis of the influential factors indicates that UPV plays a significant role in predicting the UCS of Charnockite.
Transmission dynamics of Zika virus with multiple infection routes and a case study in Brazil
Authors: Wang Liying , Jia Qiaojuan , Zhu Guanghu , Ou Guanlin , Tang Tian
Published: March 2024

The Zika virus (ZIKV) is a serious global public health crisis. A major control challenge is its multiple transmission modes. This paper aims to simulate the transmission patterns of ZIKV using a dynamic process-based epidemiological model written in ordinary differential equations, which incorporates the human-to-mosquito infection by bites and sewage, mosquito-to-human infection by bites, and human-to-human infection by sex. Mathematical analyses are carried out to calculate the basic reproduction number and backward bifurcation, and prove the existence and stability of the equilibria. The model is validated with infection data by applying it to the 2015–2016 ZIKV epidemic in Brazil. The results indicate that the reproduction number is estimated to be 2.13, in which the contributions by mosquito bite, sex and sewage account for 85.7%, 3.5% and 10.8%, respectively. This number and the morbidity rate are most sensitive to parameters related to mosquito ecology, rather than asymptomatic or human-to-human transmission. Multiple transmission routes and suitable temperature exacerbate ZIKV infection in Brazil, and the vast majority of human infection cases were prevented by the intervention implemented. These findings may provide new insights to improve the risk assessment of ZIKV infection.
Incidence and risk factors for pulmonary hemorrhage after percutaneous CT-guided pulmonary nodule biopsy: an observational study
Authors: He Chuang , Zhao Ling , Yu Hua-long , Zhao Wei , Li Dong , Li Guo-dong , Wang Hao , Huo Bin , Huang Qi-ming , Liang Bai-wu , Ding Rong , Wang Zhe , Liu Chen , Deng Liang-yu , Xiong Jun-ru , Huang Xue-quan
Published: March 2024

To evaluate the current incidence of pulmonary hemorrhage and the potential factors contributing to its increased risk after percutaneous CT-guided pulmonary nodule biopsy and to summarize the technical recommendations for its treatment. In this observational study, patient data were collected from ten medical centers from April 2021 to April 2022. The incidence of pulmonary hemorrhage was as follows: grade 0, 36.1% (214/593); grade 1, 36.8% (218/593); grade 2, 18.9% (112/593); grade 3, 3.5% (21/593); and grade 4, 4.7% (28/593). High-grade hemorrhage (HGH) occurred in 27.2% (161/593) of the patients. The use of preoperative breathing exercises (PBE, p =0.000), semiautomatic cutting needles (SCN, p = 0.004), immediate contrast enhancement (ICE, p =0.021), and the coaxial technique (CoT, p = 0.000) were found to be protective factors for HGH. A greater length of puncture (p =0.021), the presence of hilar nodules (p = 0.001), the presence of intermediate nodules (p = 0.026), a main pulmonary artery diameter (mPAD) larger than 29 mm (p = 0.015), and a small nodule size (p = 0.014) were risk factors for high-grade hemorrhage. The area under the curve (AUC) was 0.783. These findings contribute to a deeper understanding of the risks associated with percutaneous CT-guided pulmonary nodule biopsy and provide valuable insights for developing strategies to minimize pulmonary hemorrhage.
Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach
Authors: Guo Kai-Xin , Li Yan-Fang , Tang Hui , Wei Hao-Yang , Zeng Wei , Yang Xiao-Cui , Luo Yan , Ke Xue-Hong
Published: March 2024

Radix Fici Simplicissimae (RFS) is widely studied, and is in demand for its value in medicines and food products, with increased scientific focus on its cultivation and breeding. We used ultra-high-performance liquid chromatography quadrupole-orbitrap mass spectrometry-based metabolomics to elucidate the similarities and differences in phytochemical compositions of wild Radix Fici Simplicissimae (WRFS) and cultivated Radix Fici Simplicissimae (CRFS). Untargeted metabolomic analysis was performed with multivariate statistical analysis and heat maps to identify the differences. Eighty one compounds were identified from WRFS and CRFS samples. Principal component analysis and orthogonal partial least squares discrimination analysis indicated that mass spectrometry could effectively distinguish WRFS from CRFS. Among these, 17 potential biomarkers with high metabolic contents could distinguish between the two varieties, including seven phenylpropanoids, three flavonoids, one flavonol, one alkaloid, one glycoside, and four organic acids. Notably, psoralen, apigenin, and bergapten, essential metabolites that play a substantial pharmacological role in RFS, are upregulated in WRFS. WRFS and CRFS are rich in phytochemicals and are similar in terms of the compounds they contain. These findings highlight the effects of different growth environments and drug varieties on secondary metabolite compositions and provide support for targeted breeding for improved CRFS varieties.
Comparative lipidome study of maternal plasma, milk, and lamb plasma in sheep
Authors: Thangaraj Soundara Viveka , Ghnenis Adel , Pallas Brooke , Vyas Arpita Kalla , Gregg Brigid , Padmanabhan Vasantha
Published: March 2024

Lipids play a critical role in neonate development and breastmilk is the newborn’s major source of lipids. Milk lipids directly influence the neonate plasma lipid profile. The milk lipidome is dynamic, influenced by maternal factors and related to the maternal plasma lipidome. The close inter-relationship between the maternal plasma, milk and neonate plasma lipidomes is critical to understanding maternal-child health and nutrition. In this exploratory study, lipidomes of blood and breast milk from Suffolk sheep and matched lamb blood (n = 13), were profiled on day 34 post birth by untargeted mass spectrometry. Comparative multivariate analysis of the three matrices identified distinct differences in lipids and class of lipids amongst them. Paired analysis identified 346 differential lipids (DL) and 31 correlated lipids (CL) in maternal plasma and milk, 340 DL and 32 CL in lamb plasma and milk and 295 DL and 16 CL in maternal plasma and lamb plasma. Conversion of phosphatidic acid to phosphatidyl inositol was the most active pathway in lamb plasma compared to maternal plasma. This exploratory study illustrates the partitioning of lipids across maternal plasma, milk and lamb plasma and the dynamic relationship between them, reiterating the need to study these three matrices as one biological system.
Influence of magma intrusion on coal geochemical characteristics: a case study of Tiefa Daxing coal mine
Authors: Fu Xiang , Liu Xuan , Wu Qixuan , Xiao Bin , Fan Chaojun
Published: March 2024

Magma intrusion has an important influence on the physical and mechanical properties of coal and rock. In the area of magma intrusion, disasters such as gas outburst are prone to occur. Revealing its invasion law will be conducive to disaster management and energy development. For this purpose, changes in industrial analysis components of coal, mineral composition, major oxides, trace elements, and rare earth elements of coal under the thermal metamorphism of magma intrusion were analyzed. It is found that the moisture and volatile matter contents of the thermally affected coals in the mining face are generally lower than that of normal coals, while moisture and volatile matter contents are reduced towards to the magma intrusion contact. For example, the moisture and volatile matter of coal sample M01 decreased by 64.6% and 38.6% respectively compared with coal sample M05. During magma intrusion, some minerals remain on the surface of the coal body, resulting in changes in the mineral composition of the coal body. The decrease in carbon atom net spacing, the increase in crystallite aggregation and ductility, and aromaticity in thermally affected coals have a positive impact on the improvement of coal metamorphism. Due to the influences of magmatic intrusion, the variation rules of major oxides in coal are different, and the closer to the magmatic intrusion zone, the easier the major oxides are to be depleted. However, magma intrusion will not lead to the loss of all major oxides in thermally affected coals, such as content of CaO is 54.8%, which is higher than that of coal not affected by magmatic hydrothermal fluid. Most of the trace elements in the thermally affected coals of the No. 9 coal seam are depleted. The contents of rare earth elements are low on the whole coalbasis, with an average of 29.48 μg/g, and the distribution pattern towards to magmatic intrusion shows a wide and gentle “V” curve with left high and right low, showing the characteristics of enrichment of light rare earth elements.
Enhanced antibacterial properties of polyvinyl alcohol/starch/chitosan films with NiO–CuO nanoparticles for food packaging
Authors: Momtaz Fatemeh , Momtaz Elham , Mehrgardi Masoud A. , Momtaz Mahdieh , Narimani Tahmineh , Poursina Farkhondeh
Published: March 2024

Packaging is very important to maintain the quality of food and prevent the growth of microbes. Therefore, the use of food packaging with antimicrobial properties protects the food from the growth of microorganisms. In this study, antibacterial nanocomposite films of polyvinyl alcohol/starch/chitosan (PVA/ST/CS) together with nickel oxide-copper oxide nanoparticles (NiO–CuONPs) are prepared for food packaging. NiO–CuONPs were synthesized by the co-precipitation method, and structural characterization of nanoparticles (NPs) was carried out by XRD, FTIR, and SEM techniques. Composites of PVA/ST/CS, containing different percentages of NPs, were prepared by casting and characterized by FTIR and FESEM. The mechanical properties, diffusion barrier, and thermal stability were determined. The nanoparticles have a round structure with an average size of 6.7 ± 1.2 nm. The cross-section of PVA/ST/CS film is dense, uniform, and without cracks. In the mechanical tests, the addition of NPs up to 1% improved the mechanical properties (TS = 31.94 MPa), while 2% of NPs lowered TS to 14.76 MPa. The fibroblast cells toxicity and the films antibacterial activity were also examined. The films displayed stronger antibacterial effects against Gram-positive bacteria (Staphylococcus aureus) compared to Gram-negative bacteria (Escherichia coli). Furthermore, these films have no toxicity to fibroblast cells and the survival rate of these cells in contact with the films is more than 84%. Therefore, this film is recommended for food packaging due to its excellent mechanical and barrier properties, good antibacterial activity, and non-toxicity.
A semi-automatic method for extracting mitochondrial cristae characteristics from 3D focused ion beam scanning electron microscopy data
Authors: Wang Chenhao , Østergaard Leif , Hasselholt Stine , Sporring Jon
Published: March 2024

Mitochondria are the main suppliers of energy for cells and their bioenergetic function is regulated by mitochondrial dynamics: the constant changes in mitochondria size, shape, and cristae morphology to secure cell homeostasis. Although changes in mitochondrial function are implicated in a wide range of diseases, our understanding is challenged by a lack of reliable ways to extract spatial features from the cristae, the detailed visualization of which requires electron microscopy (EM). Here, we present a semi-automatic method for the segmentation, 3D reconstruction, and shape analysis of mitochondria, cristae, and intracristal spaces based on 2D EM images of the murine hippocampus. We show that our method provides a more accurate characterization of mitochondrial ultrastructure in 3D than common 2D approaches and propose an operational index of mitochondria’s internal organization. With an improved consistency of 3D shape analysis and a decrease in the workload needed for large-scale analysis, we speculate that this tool will help increase our understanding of mitochondrial dynamics in health and disease.
Toxic and Allergic Responses Caused by Secondary Metabolites Used in Cosmetic Formulations
Authors: Gajbhiye Swati , Pal Kaushik
Published: March 2024

Secondary metabolites are known as natural products that are used in cosmetics because of their beneficial properties, but the toxicity of some of them limits their use in personal care formulations. This chapter discusses, according to their classification, the plant secondary metabolites used in cosmetics that cause toxicity and allergic reactions in the human body. In addition, this chapter also discusses the secondary metabolites produced by microorganisms and animals that are used in cosmetic products. There are several secondary metabolites that are used in cosmetic preparations due to their beneficial properties, but when these metabolites are absorbed by the skin, they cause disruption to the skin following topical application. This chapter highlights the chemical compounds that are responsible for the toxic and allergic reactions.
Cosmetic Applications of Lichens
Authors: Zhao Yingshu , Xu Baojun , Pandohee Jessica
Published: March 2024

Lichens are symbiotic complexes of fungi and algae (or cyanobacteria), whose special symbiotic structure allows them to produce unique and abundant metabolites. The variety of biological activities of lichen substances has been proven, but research on lichen substances in the field of modern cosmetics is still scattered and lacking. In this chapter, lichens and their metabolites are introduced, and their applications in cosmetics and potential health benefits are reviewed. The antibacterial, antifungal, antioxidant, photoprotective, anti-inflammatory, enzyme-inhibiting and moisturizing activities of lichen substances may offer new options for the development of and research into cosmetic and natural ingredients. However, the mechanism of action, skin permeability and skin safety of lichen bioactive substances are still unclear, and this may be a direction for future research.
Theory of Rayleigh–Brillouin optical activity light scattering applicable to chiral liquids
Authors: Cameron Robert P. , Alexakis Emmanouil I. , Arnold Aidan S. , McArthur Duncan
Published: March 2024

We present a general theory of Rayleigh–Brillouin optical activity applicable to dense chiral samples such as neat liquids. Our theory extends the existing theory of Rayleigh optical activity by accounting for molecular dynamics and correlations.
Evaluating mAbs binding abilities to Omicron subvariant RBDs: implications for selecting effective mAb therapies
Authors: Luo Song , Xiong Danyang , Tang Bolin , Liu Bangyu , Zhao Xiaoyu , Duan Lili
Published: March 2024

Continued evolution of the SARS-CoV-2 Omicron lineage has led to subvariants, and the mAbs with the potential for immune escape.
Molecular-scale understanding of diluent effects on ligand assembly for metal ion separations
Authors: Poe Derrick , Seifert Soenke , Servis Michael J.
Published: March 2024

Differences in efficiency of solvent extraction of metal ions in different organic diluents are mediated through the assembly free energy of the extractant, as demonstrated with molecular dynamics simulations.
Fano resonance in molecular junctions of spin crossover complexes
Authors: Hao Hua , Li Honghao , Jia Ting , Zhou Yanhong , Zheng Xiaohong
Published: March 2024

Introducing a molecular switch paradigm that integrates the spin crossover complex with Fano resonance, in which three conductance states can be achieved by shifting Fano resonance due to the spin switch between HS and LS and gate voltage.
Improved electrochemical performance of the FeOx(OH)/IF electrode via in situ surface modification with organic naphthoquinone molecules
Authors: Shang Zongyi , Li Jiayu , Chen Yu , Zhao Zhigang , Zhou Caixia
Published: March 2024

An organic–inorganic hybrid is a promising electrode material for aqueous batteries due to its larger potential in improving electrochemical performance.
Minimally designed thermo-magnetic dual responsive soft robots for complex applications
Authors: Siebenmorgen Clio , Wang Chen , Navarro Laurens Bosscher , Parisi Daniele , Misra Sarthak , Venkiteswaran Venkatasubramanian Kalpathy , van Rijn Patrick
Published: March 2024

The minimally designed robot (THANOS) showcases excellent control over both thermo- and magnetic responses. The robot performs various tasks including shaping, locomotion, pick-and-place, and release maneuvers of objects using independent triggers.
Evaluation of aconitine cardiotoxicity with a heart-on-a-particle prepared by a microfluidic device
Authors: Xu Tong , Wu Zengnan , Yao Hongren , Zhang Yingrui , Chen Shiyu , Li Yuxuan , Meng Xian-Li , Zhang Yi , Lin Jin-Ming
Published: March 2024

A heart-on-a-particle model based on a multicompartmental microgel is proposed to simulate the heart microenvironment and study the cardiotoxicity of drugs.
Copper(i)-free syntheses of [11C/18F]trifluoromethyl ketones from alkyl or aryl esters and [11C/18F]fluoroform
Authors: Jana Susovan , Telu Sanjay , Jakobsson Jimmy E. , Yang Bo Yeun , Pike Victor W.
Published: March 2024

We report a new copper(i)-free method for the syntheses of no-carrier-added 11C- and 18F-labeled trifluoromethyl ketones using aryl or alkyl esters and [11C/18F]fluoroform in presence of strong base.
Structure-dependent CO2 reduction on molybdenite (MoS2) electrocatalysts
Authors: Limb Jake , Gaudin Lachlan F. , Bentley Cameron L.
Published: March 2024

Scanning electrochemical cell microscopy (SECCM) is employed to directly identify the structure-dependent electrochemical CO2 reduction activity of molybdenite (MoS2) electrocatalysts in an aqueous imidazolium-based aprotic ionic liquid electrolyte.
Creation of a boron carbide-based Ti3AlBC (312) MAX phase: a route to novel MXenes for energy storage
Authors: Alam Md. Shahinoor , Chowdhury Mohammad Asaduzzaman , Islam Md. Rasidul , Islam Md. Saiful , Islam Md. Moynul , Ahmed Razu
Published: March 2024

A novel boron carbide (B4C)-based Ti3AlBC (312) MAX phase was predicted for the first time via density functional theory (DFT).
Pure organic TPB single crystal for direct X-ray detection
Authors: Jiang Kai , Xu Lingyan , Shang Rongjin , Liang Lu , Wang Yingming , Qin Zhentao , Jie Wanqi
Published: March 2024

High-quality TPB single crystals were obtained without obvious step-like growth morphology. The TPB devices could present α-particle and γ-ray spectral responses with high energy resolution, showing potential for direct radiation detection.
Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand
Authors: Mou Wen-Long , Gao Cheng-Jie , Li Zi-Xi , Fan Si-Jie , Hou Chuan-Bin , Zhao Jing-Tong , Zhang Shuai , Li Zhong-Feng , Han Hong-Liang , Duan Chun-Bo , Wang Guo , Jin Qiong-Hua
Published: March 2024

High quantum yield (72–88%) yellow-emitting Cu(i) complexes obtained by tuning the nitrogen ligands and anions.
A first-principles study on Ni-decorated MoS2 for efficient formaldehyde degradation over a wide temperature range
Authors: Tang Jiahui , Wang Xiaocha , Pan Honggang , Zhou Baozeng
Published: March 2024

Ni-decorated MoS2 can effectively degrade formaldehyde into harmless H2O and CO2 in a wide temperature range.
Relaxor ferroelectric-like glassy dielectric dispersion in the triple perovskite Ba3CoSb2O9
Authors: Kumar Sanjay , Nathawat Rashi , Yogi Arvind Kumar , Rathore Satyapal S.
Published: March 2024

A single phase centrosymmetric triple perovskite Ba3CoSb2O9 exhibits a relaxor-like dielectric relaxation.
Enzymatic cascade of DERA and ADH for lactone synthesis
Authors: Abdelraheem Eman , Kuijpers Robin , Hagedoorn Peter-Leon , Hollmann Frank , Hanefeld Ulf
Published: March 2024

This study presents a three-step one pot enzymatic cascade for the synthesis of a δ-lactone. This combination of enzymes can also be applied for the synthesis of the statin side chain.
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI
Authors: Braunscheidel Nicole M. , Bachhar Arnab , Mayhall Nicholas J.
Published: March 2024

In this paper, we apply Tensor Product Selected Configuration Interaction (TPSCI) to a series of three molecular systems ranging in separability, one of which is the first application of TPSCI to an open-shell bimetallic system.
Interpretable-machine-learning-guided discovery of dominant intrinsic factors of sensitivity of high explosives
Authors: Wang Xianshuang , He Yage , Zhang Xinyu , Hu Maoxin , Zhao Wanzhu , Sun Haohan , Yang Xiaoning , Liu Xiaodong , Liu Ruibin
Published: March 2024

An interpretable-machine-learning analytical approach is proposed to probe potential intrinsic factors of sensitivity at the atomic and molecular level by using LIPS spectra and custom descriptors.
Correction: Chiral amplification induced by self-assembly of different aggregation states in liquid crystal block copolymer films with chiral response
Authors: Yuan Jianan , Lu Xuemin , He Xiaojie , Zheng Feng , Lu Qinghua
Published: March 2024

Correction for ‘Chiral amplification induced by self-assembly of different aggregation states in liquid crystal block copolymer films with chiral response’ by Jianan Yuan et al., Mater. Adv., 2023, 4, 2185–2191, https://doi.org/10.1039/D3MA00103B.
Achiral substituent- and stoichiometry-controlled inversion of supramolecular chirality and circularly polarized luminescence in ternary co-assemblies
Authors: Wang Fang , Lai Liyun , Liu Min , Zhou Quan , Lin Shaoliang
Published: March 2024

Supramolecular chirality and CPL handedness of the ternary co-assemblies can be inverted flexibly by adjusting the stoichiometric ratio or by changing the achiral substituents including the amino acid residues and the substituted ethylene groups.
Short-branched alkyl sulfobetaine-passivated CsPbBr3 nanocrystals for efficient green light emitting diodes
Authors: Li Lian-Yue , Song Yong-Hui , Yang Jun-Nan , Ru Xue-Chen , Yin Yi-Chen , Yao Hong-Bin
Published: March 2024

Inorganic cesium lead bromide nanocrystals (CsPbBr3 NCs) hold promising prospects for high performance green light-emitting diodes (LEDs) due to their exceptional color purity and high luminescence efficiency.
Sustainable preparation of 2-acylbenzothiazoles under the cooperation of ionic liquids and microwave irradiation
Authors: Wang Shoushun , Liu Mengjie , Yue Yiyuan , Hu Xiude , Zhang Yalin , Shen Guodong , Dong Ruiguo , Shi Lilong , Yu Bing , Huang Xianqiang
Published: March 2024

A series of 2-acylbenzothiazole derivatives were sustainably synthesized for the first time under the cooperation of ionic liquids and microwave irradiation, metal- and extra-additives-free conditions.
Zirconium oxide nano-catalyzed synthesis of pharmacologically important bis(indolyl)methanes: a highly efficient and mild approach
Authors: Rathi Komal , Tiwari Om Shanker , Rawat Varun , Jat Jawahar L. , Yadav Dinesh Kumar , Verma Ved Prakash
Published: March 2024

A straightforward, highly efficient, and mild approach for synthesizing bis(indolyl)methanes (26 examples) is reported. The condensation between various aldehydes and indole is facilitated by ZrO2nanoparticles (ZO-nps) as a catalyst in acetonitrile.
Chiral guanidine catalyzed cyclization reactions of 1,3-enynes for lactone synthesis: switchable H-bond catalysis
Authors: Zhang Yongyan , Ning Lichao , Zhu Tianxin , Xie Zheng , Dong Shunxi , Feng Xiaoming , Liu Xiaohua
Published: March 2024

Cyclization and 1,4-conjugate addition/cyclization between 2-activated 1,3-enynes and azlactones were achieved with chiral guanidine-amides for enol-type activation to yield a range of δ-lactone derivatives.
One-step hydrothermal growth of porous nickel manganese layered double hydroxide nanosheet film towards efficient visible-light modulation
Authors: Feng Xingzhe , Wan Xinyi , Yang Ting , Huang Jiahui , Wang Jinmin , Ma Dongyun
Published: March 2024

We have developed a one-step hydrothermal method to grow porous NiMn-LDH nanosheets film, which is first demonstrated for efficient visible electrochromism with a large optical modulation of 68.5% and solar irradiation modulation of 59.0%.
Boosting the electrochromic performance of P-doped WO3 films via electrodeposition for smart window applications
Authors: Gu Hongxi , Tan Mengdi , Wang Ting , Sun Jiayi , Du Juan , Ma Rong , Wang Wei , Hu Dengwei
Published: March 2024

P-doped amorphous WO3 films are successfully fabricated using the electrodeposition method. With suitable P-doping, the WO3 films display excellent electrochromic performance, and can be applied in smart windows.
Correction: Ocular biocompatibility evaluation of POSS nanomaterials for biomedical material applications
Authors: Shen Chenghui , Han Yuemei , Wang Bailiang , Tang Junmei , Chen Hao , Lin Quankui
Published: March 2024

Correction for ‘Ocular biocompatibility evaluation of POSS nanomaterials for biomedical material applications’ by Chenghui Shen et al., RSC Adv., 2015, 5, 53782–53788, https://doi.org/10.1039/C5RA08668J.
Automated kinetic model identification via cloud services using model-based design of experiments
Authors: Agunloye Emmanuel , Petsagkourakis Panagiotis , Yusuf Muhammad , Labes Ricardo , Chamberlain Thomas , Muller Frans L. , Bourne Richard A. , Galvanin Federico
Published: March 2024

Industry 4.0 has birthed a new era for the chemical manufacturing sector, transforming reactor design and integrating digital twin into process control.
Correction: Sizing multimodal suspensions with differential dynamic microscopy
Authors: Bradley Joe J. , Martinez Vincent A. , Arlt Jochen , Royer John R. , Poon Wilson C. K.
Published: March 2024

Correction for ‘Sizing multimodal suspensions with differential dynamic microscopy’ by Joe J. Bradley et al., Soft Matter, 2023, 19, 8179–8192, https://doi.org/10.1039/D3SM00593C.
A hierarchical approach to designing a Na-rich phosphide solid-state electrolyte for Na-ion batteries
Authors: Lin Aming , Shi Jing , Wei Su-Huai , Sun Yi-Yang
Published: March 2024

A hierarchical approach employing the concepts of dilute element compounds (DECs), phase engineering, and defect engineering for the design of a Na-rich phosphide solid-state electrolyte.
Robust steganographic framework for securing sensitive healthcare data of telemedicine using convolutional neural network
Authors: Ch Rupa , Yadlapalli Venkayya , Sk Suhana Sulthana , Reddy G. Thippa , Kautish Sandeep
Published: March 2024

Data is the key element that runs the modern society. Large amounts of data are being released day by day as a result of many activities. The digital data is transferred through the Internet which may be vulnerable to attacks while transmitting. Especially, the medical data is observed to be of at most importance. Thus, the security of the data should be preserved while communicating through the Internet. Many techniques have been evolved for securing the data, such as Encryption which makes the data not understandable by others and techniques such as Steganography, which hides the data inside other file or document. Traditional methods of Steganography‐like LSB substitution are subjected to risks of manipulation of carrier image and poor embedding capabilities. In light of this, the authors introduce a Convolutional Neural Network‐based image steganography method that operates on DICOM images which conceals the sensitive medical data in the carrier file, thereby increasing the privacy of the sensitive data. The data considered here is brain MRI scan images. The Prep Net, Hiding Net and Reveal Net networks, each with distinct number of convolution layers are used to build the model. The sensitive data is firstly segmented to detect the Region of Interest (ROI) and then the combination of sensitive data and the carrier image are fed to the Prep Net to manipulate sensitive images in such a form that it can easily fit inside the carrier image. The Hiding Net takes the result of Prep Net and embeds the sensitive image inside the carrier image to form a stego image. The Reveal Net takes the result of Hiding Net image and then extracts the sensitive image with minimal loss. The dataset contains medical images of DICOM format taken from open source platform Kaggle that contains 3500 images of 2 classes. The results obtained show that the proposed model achieves 20 percent better output compared to traditional LSB methods. As a result, the potential for hiding the data will be expanded, as well as its security.
Joint image restoration for object detection in snowy weather
Authors: Wang Jing , Xu Meimei , Xue Huazhu , Huo Zhanqiang , Luo Fen
Published: March 2024

Although existing object detectors achieve encouraging performance of object detection and localisation under real ideal conditions, the detection performance in adverse weather conditions (snowy) is very poor and not enough to cope with the detection task in adverse weather conditions. Existing methods do not deal well with the effect of snow on the identity of object features or usually ignore or even discard potential information that can help improve the detection performance. To this end, the authors propose a novel and improved end‐to‐end object detection network joint image restoration. Specifically, in order to address the problem of identity degradation of object detection due to snow, an ingenious restoration‐detection dual branch network structure combined with a Multi‐Integrated Attention module is proposed, which can well mitigate the effect of snow on the identity of object features, thus improving the detection performance of the detector. In order to make more effective use of the features that are beneficial to the detection task, a Self‐Adaptive Feature Fusion module is introduced, which can help the network better learn the potential features that are beneficial to the detection and eliminate the effect of heavy or large local snow in the object area on detection by a special feature fusion, thus improving the network's detection capability in snowy. In addition, the authors construct a large‐scale, multi‐size snowy dataset called Synthetic and Real Snowy Dataset (SRSD), and it is a good and necessary complement and improvement to the existing snowy‐related tasks. Extensive experiments on a public snowy dataset (Snowy‐weather Datasets) and SRSD indicate that our method outperforms the existing state‐of‐the‐art object detectors.
A machine learning‐based approach for wait‐time estimation in healthcare facilities with multi‐stage queues
Authors: Al‐Mousa Amjed , Al‐Zubaidi Hamza , Al‐Dweik Mohammad
Published: March 2024

Digital technologies have been contributing to providing quality health care to patients. One aspect of this is providing accurate wait times for patients waiting to be serviced at healthcare facilities. This is naturally a complex problem as there is a multitude of factors that can impact the wait time. However, the problem becomes even more complex if the patient's journey requires visiting multiple stations in the hospital; such as having vital signs taken, doing an ultrasound, and seeing a specialist. The authors aim to provide an accurate method for estimating the wait time by utilising a real dataset of transactions collected from a major hospital over a year. The work employs feature engineering and compares several machine learning‐based algorithms to predict patients' waiting times for single‐stage and multi‐stage services. The Random Forest algorithm achieved the lowest root mean squared error (RMSE) value of 6.69 min among all machine learning algorithms. The results were also compared against a formula‐based system used in the industry, and the proposed model outperformed the existing model, showing improvements of 25.1% in RMSE and 18.9% in MAE metrics. These findings indicate a significant improvement in the accuracy of predicting waiting times compared to existing techniques.