bluuebunny/crossref_metadata_2025 huggingface dataset:
pH-responsive chitosan/acrylamide/gold/nanocomposite supported with silver nanoparticles for controlled release of anticancer drug
Authors: Nasef Shaimaa M. , Khozemy Ehab E. , Mahmoud Ghada A.
Published: May 2023

In this study, we prepared a pH-responsive nanocomposite hydrogel based on chitosan grafted with acrylamide monomer and gold nanoparticles using gamma irradiation method (Cs-g-PAAm/AuNPs). The nanocomposite was enhanced with a layer coating of silver nanoparticles to improve the controlled release of the anticancer drug fluorouracil while increasing antimicrobial activity and decreasing the cytotoxicity of silver nanoparticles in nanocomposite hydrogel by combining with gold nanoparticles to enhance the ability to kill a high number of liver cancer cells. The structure of the nanocomposite materials was studied using FTIR spectroscopy and XRD patterns, which demonstrated the entrapment of gold and silver nanoparticles within the prepared polymer matrix. Dynamic light scattering data revealed the presence of gold and silver in the nanoscale with the polydispersity indexes in the mid-range values, indicating that distribution systems work best. Swelling experiments at various pH levels revealed that the prepared Cs-g-PAAm/Au–Ag-NPs nanocomposite hydrogels were highly responsive to pH changes. Bimetallic pH-responsive Cs-g-PAAm/Au–Ag-NPs nanocomposites exhibit strong antimicrobial activity. The presence of AuNPs reduced the cytotoxicity of AgNPs while increasing their ability to kill a high number of liver cancer cells.Cs-g-PAAm/Au–Ag-NPs has a high amount of fluorouracil drug loaded at pH 7.4 reaching 95 mg/g with a maximum drug release of 97% within 300 min. Cs-g-PAAm/Au–Ag-NPs have been recommended to use as oral delivery of anticancer drugs because they secure the encapsulated drug in the acidic medium of the stomach and release it in the intestinal pH.
Golden ratio in venation patterns of dragonfly wings
Authors: Lu Keene , Shen Samson , Miller Lisa M. , Huang Xiaojing
Published: May 2023

The vein pattern in insect wings allows this lightweight structure to carry multiple biological functions. Here, an investigation of the angular distribution of the vein struts in dragonfly wings revealed that the golden angle or golden ratio dominates the venation patterns. We find that the golden angle dominates the intervein angles in regions where thin veins and membranes demand strength reinforcement. A golden ratio partition method has thus been developed that explains a set of preferred intervein angles in distorted polygon-shaped venation cells throughout the venation pattern in dragonfly wings. These observations provide new evidence that the wing structure is spatially optimized, by the golden rule in nature, for supporting biomechanical functions of dragonfly wings.
Numerical study of hydrothermal and mass aspects in MHD driven Sisko-nanofluid flow including optimization analysis using response surface method
Authors: Wang Xinhua , Rasool Ghulam , Shafiq Anum , Thumma Thirupathi , Al-Mdallal Qasem M.
Published: May 2023

A steady, incompressible, two-dimensional Sisko-nanofluid flow towards the horizontal direction with no movement in the vertical direction is considered on a stretching/shrinking surface. The power law component (Sisko model) is incorporated under the regime of the porous medium. A magnetic impact is included coming from the MHD in the surface normal direction. In addition, thermal radiation, Brownian diffusion, and thermophoresis are involved in the governing system of equations obtained from the Navier–Stokes model in two-dimensional flow systems. The PDEs are converted into the one-dimensional system using suitable transformations and solved by Galerkin weighted residual method validated with the spectral collocation method. The optimization analysis is performed on heat transfer and skin-friction factors using response surface methodology. The impact of the parameters involved in the model has been testified and is provided in graphical forms. The outcomes indicate that for the values of the porosity factor fluctuating between [0, 2.5], the velocity profile and corresponding boundary layer thickness are lesser towards the maximum value of the parameter, and the results are opposite as the parameter approaches zero. The optimization and sensitivity analysis shows that the transport of heat sensitivity towards thermal radiation, Brownian diffusion, and thermophoresis declined whenever the Nt and Nb increased from low to high and at the medium level of thermal radiation. An increment in the Forchheimer parameter increases the sensitivity of the rate of friction factor, whereas increasing the Sisk-fluid parameter has the reverse effect. Elongation processes like those of pseudopods and bubbles make use of such models. The idea is also widely used in other sectors, such as the textile industry, glass fiber production, cooling baths, paper manufacture, and many more.
Genetic variation in disease resistance in Drosophila spp. is mitigated in Drosophila sechellia by specialization to a toxic host
Authors: O’Malley Liam , Wang Jonathan , Nikzad Matthew , Sheng Huiyu , St. Leger Raymond
Published: May 2023

We found that Drosophila species vary in their susceptibility to the broad-spectrum entomopathogen, Metarhizium anisopliae (strain Ma549). Generalist species were generally more resistant than dietary specialists, with the cactophilic Drosophila buzzatii and Drosophila sechellia, a specialist of the Morinda citrifolia (Morinda) fruit, being most susceptible. Morinda fruit is reported to be toxic to most herbivores because it contains Octanoic Acid (OA). We confirmed that OA is toxic to Drosophila spp., other than D. sechellia, and we also found that OA is highly toxic to entomopathogenic fungi including Ma549 and Beauveria bassiana. Drosophilasechellia fed a diet containing OA, even at levels much less than found in Morinda fruit, had greatly reduced susceptibility to Ma549. This suggests that specializing to Morinda may have provided an enemy-free space, reducing adaptive prioritization on a strong immune response. Our results demonstrate that M. anisopliae and Drosophila species with divergent lifestyles provide a versatile model system for understanding the mechanisms of host–pathogen interactions at different scales and in environmental context.
From language models to large-scale food and biomedical knowledge graphs
Authors: Cenikj Gjorgjina , Strojnik Lidija , Angelski Risto , Ogrinc Nives , Koroušić Seljak Barbara , Eftimov Tome
Published: May 2023

Knowledge about the interactions between dietary and biomedical factors is scattered throughout uncountable research articles in an unstructured form (e.g., text, images, etc.) and requires automatic structuring so that it can be provided to medical professionals in a suitable format. Various biomedical knowledge graphs exist, however, they require further extension with relations between food and biomedical entities. In this study, we evaluate the performance of three state-of-the-art relation-mining pipelines (FooDis, FoodChem and ChemDis) which extract relations between food, chemical and disease entities from textual data. We perform two case studies, where relations were automatically extracted by the pipelines and validated by domain experts. The results show that the pipelines can extract relations with an average precision around 70%, making new discoveries available to domain experts with reduced human effort, since the domain experts should only evaluate the results, instead of finding, and reading all new scientific papers.
Health-related quality of life of Chinese patients with chronic kidney disease: a study based on four EQ-5D-3L value sets
Authors: Zhang Ye , Li Jinyue , Yang Li
Published: May 2023

Provide reference data on which EQ-5D-3L value set should be used with Chinese patients with chronic kidney disease (CKD); assess differences in health-related quality of life (HRQoL) based on the use of the Chinese (from 2014 and 2018), the UK, and the Japanese value sets; and examine differences in utility scores for key preventive influencing factors. Data from 373 patients with CKD recruited for a cross-sectional multicenter HRQoL survey were used. Differences among utility scores based on the four value sets were determined using Wilcoxon signed rank test. Intra-class correlation coefficient (ICCs) and Bland–Altman plots were used to evaluate consistency among utility scores and Tobit regression model was used to analyze the influencing factors of utility scores. There were significant differences between utility scores based on the four value sets, with the Chinese 2018 value set yielding the highest utility (0.957). ICCs between the value sets for China 2014, the UK, and Japan were all greater than 0.9, whereas the ICCs between the value sets for China 2018 and the other three were all less than 0.7. The influencing factors of utility scores included CKD stages, age, education level, city, and primary renal disease. This was the first study to report findings on the health utility of patients with CKD based on the two Chinese EQ-5D-3L value sets. Overall, the Chinese value sets performed similarly to the other two value sets (UK and Japan) commonly used in the Chinese population; however, value sets for different countries were not interchangeable. In Chinese contexts, the two value sets for China were recommended and the choice of which one should consider whether the value set of choice was established with a sample that is consistent with the targeted population.
Dip effect of asymmetric deformation characteristics for stope roof-pillar system
Authors: Huang Tengda , Luo Binyu , Ye Yicheng , Yuan Zhouhao , Li Pengcheng
Published: May 2023

In underground mining, the dip angle is one of the widely recognized factors that cause the asymmetric deformation of the goaf/stope roof, but characterizing the degree of asymmetric roof deformation is still a challenge. The goal of this research is to try to solve this problem with a theoretical model and numerical method. In an inclined ore seam, the mining load produces both normal and tangential effects on the inclined roof. A theoretical model was developed employing thin plate theory for enabling describe the asymmetric deformation of the roof caused by inclination. The proposed model describes not only the bending deformation state of the roof but also the deformation characteristics. Subsequently, the law of asymmetric deformation of roofs with varying inclinations was presented by numerical method. Under the same conditions, the numerical results of the asymmetric deformation of the roof are consistent with the theoretical results. Finally, the degree of asymmetrical deformation was characterized and quantified by the distance between the maximum subsidence point and the center of the roof. There exist three modes of asymmetric deformation, which are controlled by both dip angle and in-situ stress ratio. The results show that the shear load caused by dip angle is the root cause of asymmetric deformation of the roof. This study provides a theoretical basis for the asymmetric deformation control of the inclined roof.
Mechanical behavior and particle crushing of irregular granular material under high pressure using discrete element method
Authors: Chen Qinglin , Li Zugui , Dai Zeyu , Wang Xiaojun , Zhang Chao , Zhang Xuepeng
Published: May 2023

This study investigated the influence of stress levels on the mechanical behavior and particle crushing of irregular granular materials. Granular materials with irregular sides were modelled using the discrete element method. A new method of using a shear fracture zone to characterize the deformation of irregular granular materials under high pressure was proposed. The crushing energy is analysed based on the first law of thermodynamics. The shear strength of irregular granular materials shows significantly nonlinear behavior due to particle crushing. The deformation behavior can be characterized with the help of particle rotation under low confining pressure, and can be characterized with the help of particle breakage under high confining pressure. Granular materials easily break into many single fine particles under high confining pressure. The breakage degree can be represented by the value of crushing energy. Irregular granular materials have a large breakage degree under high confining pressures. It weakens the stability of engineered structures constructed from granular materials.
Edentulous disparities among geriatric population according to the sexual difference in South Korea: a nationwide population-based study
Authors: Park Hyang-Ah , Shin Soon-Hee , Ryu Jae-In
Published: May 2023

The proportion aged 60 years or older in the world's population is expected to double by 2050. In general, they have many complex diseases and poor oral health status. Oral health is one of the important health indicators of elderly people and it is affected by diverse factors, such as socioeconomic status. In this study, sexual difference was considered as an associated factor that is closely related to edentulism. The sexual difference might be more influential within the geriatric population because of lower economic and educational backgrounds at this stage. Edentulism was significantly higher among elderly females than males when combined with the education level. The lower the level of education, the higher the prevalence of edentulism as much as 24 ~ 28 times, especially in females (P = 0.002). These findings suggest a more complex relationship between oral health, socioeconomic status, and sexual difference.
Spatial ability and 3D model colour-coding affect anatomy performance: a cross-sectional and randomized trial
Authors: Koh Ming Yi , Tan Gerald Jit Shen , Mogali Sreenivasulu Reddy
Published: May 2023

Photorealistic 3D models (PR3DM) have great potential to supplement anatomy education; however, there is evidence that realism can increase cognitive load and negatively impact anatomy learning, particularly in students with decreased spatial ability. These differing viewpoints have resulted in difficulty in incorporating PR3DM when designing anatomy courses. To determine the effects of spatial ability on anatomy learning and reported intrinsic cognitive load using a drawing assessment, and of PR3DM versus an Artistic colour-coded 3D model (A3DM) on extraneous cognitive load and learning performance. First-year medical students participated in a cross-sectional (Study 1) and a double-blind randomised control trial (Study 2). Pre-tests analysed participants' knowledge of anatomy of the heart (Study 1, N = 50) and liver (Study 2, N = 46). In Study 1, subjects were first divided equally using a mental rotations test (MRT) into low and high spatial ability groups. Participants memorised a 2D-labeled heart valve diagram and sketched it rotated 180°, before self-reporting their intrinsic cognitive load (ICL). For Study 2, participants studied a liver PR3DM or its corresponding A3DM with texture-homogenisation, followed by a liver anatomy post-test, and reported extraneous cognitive load (ECL). All participants reported no prior anatomy experience. Participants with low spatial ability (N = 25) had significantly lower heart drawing scores (p = 0.001) than those with high spatial ability (N = 25), despite no significant differences in reported ICL (p = 0.110). Males had significantly higher MRT scores than females (p = 0.011). Participants who studied the liver A3DM (N = 22) had significantly higher post-test scores than those who studied the liver PR3DM (N = 24) (p = 0.042), despite no significant differences in reported ECL (p = 0.720). This investigation demonstrated that increased spatial ability and colour-coding of 3D models are associated with improved anatomy performance without significant increase in cognitive load. The findings are important and provide useful insight into the influence of spatial ability and photorealistic and artistic 3D models on anatomy education, and their applicability to instructional and assessment design in anatomy.
Classification of Amazonian fast-growing tree species and wood chemical determination by FTIR and multivariate analysis (PLS-DA, PLS)
Authors: Javier-Astete Rosario , Melo Jessenia , Jimenez-Davalos Jorge , Zolla Gastón
Published: May 2023

Fast-growing trees like Capirona, Bolaina, and Pashaco have the potential to reduce forest degradation because of their ecological features, the economic importance in the Amazon Forest, and an industry based on wood-polymer composites. Therefore, a practical method to discriminate specie (to avoid illegal logging) and determine chemical composition (tree breeding programs) is needed. This study aimed to validate a model for the classification of wood species and a universal model for the rapid determination of cellulose, hemicellulose, and lignin using FTIR spectroscopy coupled with chemometrics. Our results showed that PLS-DA models for the classification of wood species (0.84 ≤ R2 ≤ 0.91, 0.12 ≤ RMSEP ≤ 0.20, accuracy, specificity, and sensibility between 95.2 and 100%) were satisfied with the full spectra and the differentiation among these species based on IR peaks related to cellulose, lignin, and hemicellulose. Besides, the full spectra helped build a three-species universal PLS model to quantify the principal wood chemical components. Lignin (RPD = 2.27, $${R}_{c}^{2}$$

R

c

2

= 0.84) and hemicellulose (RPD = 2.46, $${R}_{c}^{2}$$

R

c

2

= 0.83) models showed a good prediction, while cellulose model (RPD = 3.43, $${R}_{c}^{2}$$

R

c

2

= 0.91) classified as efficient. This study showed that FTIR-ATR, together with chemometrics, is a reliable method to discriminate wood species and to determine the wood chemical composition in juvenile trees of Pashaco, Capirona, and Bolaina.
A single chlamydial protein reshapes the plasma membrane and serves as recruiting platform for central endocytic effector proteins
Authors: Spona Dominik , Hanisch Philipp T. , Hegemann Johannes H. , Mölleken Katja
Published: May 2023

Uptake of obligate intracellular bacterial pathogens into mammalian epithelial cells is critically dependent on modulation of the host’s endocytic machinery. It is an open question how the invading pathogens generate a membrane-bound vesicle appropriate to their size. This requires extensive deformation of the host plasma membrane itself by pathogen-derived membrane-binding proteins, accompanied by substantial F-actin-based forces to further expand and finally pinch off the vesicle. Here we show that upon adhesion to the host cell, the human pathogenic bacterium Chlamydia pneumoniae secretes the scaffolding effector protein CPn0677, which binds to the inner leaflet of the invaginating host’s PM, induces inwardly directed, negative membrane curvature, and forms a recruiting platform for the membrane-deforming BAR-domain containing proteins Pacsin and SNX9. In addition, while bound to the membrane, CPn0677 recruits monomeric G-actin, and its C-terminal region binds and activates N-WASP, which initiates branching actin polymerization via the Arp2/3 complex. Together, these membrane-bound processes enable the developing endocytic vesicle to engulf the infectious elementary body, while the associated actin network generates the forces required to reshape and detach the nascent vesicle from the PM. Thus, Cpn0677 (now renamed SemD) acts as recruiting platform for central components of the endocytic machinery during uptake of chlamydia.
A machine learning approach to drawing phase diagrams of topological lasing modes
Authors: Wong Stephan , Olthaus Jan , Bracht Thomas K. , Reiter Doris E. , Oh Sang Soon
Published: May 2023

Identifying phases and analyzing the stability of dynamic states are ubiquitous and important problems which appear in various physical systems. Nonetheless, drawing a phase diagram in high-dimensional and large parameter spaces has remained challenging. Here, we propose a data-driven method to derive the phase diagram of lasing modes in topological insulator lasers. The classification is based on the temporal behaviour of the topological modes obtained via numerical integration of the rate equation. A semi-supervised learning method is used and an adaptive library is constructed in order to distinguish the different topological modes present in the generated parameter space. The proposed method successfully distinguishes the different topological phases in the Su-Schrieffer-Heeger lattice with saturable gain. This demonstrates the possibility of classifying the topological phases without needing for expert knowledge of the system and may give valuable insight into the fundamental physics of topological insulator lasers via reverse engineering of the derived phase diagram.
Astronomical forcing shaped the timing of early Pleistocene glacial cycles
Authors: Watanabe Yasuto , Abe-Ouchi Ayako , Saito Fuyuki , Kino Kanon , O’ishi Ryouta , Ito Takashi , Kawamura Kenji , Chan Wing-Le
Published: May 2023

Glacial cycles during the early Pleistocene are characterised by a dominant 41,000-year periodicity and amplitudes smaller than those of glacial cycles with ~100,000-year periodicity during the late Pleistocene. However, it remains unclear how the 41,000-year glacial cycles during the early Pleistocene respond to Earth’s astronomical forcings. Here we employ a three-dimensional ice-sheet model to simulate the glacial cycles at ~1.6–1.2 million years before present and analyse the phase angle of precession and obliquity at deglaciations. We show that each deglaciation occurs at every other precession minimum, and when obliquity is large. The lead-lag relationship between precession and obliquity controls the length of interglacial periods, the shape of the glacial cycle, and the glacial ice-sheet geometry. The large amplitudes of obliquity and eccentricity during this period helped to establish robust 41,000-year glacial cycles. This behaviour is explained by the threshold mechanism determined by ice-sheet size and astronomical forcings.
A transdiagnostic meta-analysis of acute augmentations to psychological therapy
Authors: Nord Camilla L. , Longley Beth , Dercon Quentin , Phillips Veronica , Funk Julia , Gormley Siobhan , Knight Rachel , Smith Alicia J. , Dalgleish Tim
Published: May 2023

At least half of all patients with mental health disorders do not respond adequately to psychological therapy. Acutely enhancing particular biological or psychological processes during psychological therapy may improve treatment outcomes. However, previous studies are confined to specific augmentation approaches, typically assessed within single diagnostic categories. Our objective was to assess to what degree acute augmentations of psychological therapy reduce psychiatric symptoms and estimate effect sizes of augmentation types (for example, brain stimulation or psychedelics). We searched Medline, PsycINFO and Embase for controlled studies published between database inception and 25 May 2022. We conducted a preregistered random-effects meta-analysis (PROSPERO CRD42021236403). We identified 108 studies (N = 5,889). Acute augmentation significantly reduced the severity of mental health problems (Hedges’g = −0.27, 95% CI: [−0.36, −0.18];P < 0.0001), particularly for the transdiagnostic dimensions 'Fear' and 'Distress'. This result survived a trim-and-fill analysis to account for publication bias. Subgroup analyses revealed that pharmacological, psychological and somatic augmentations were effective, but to varying degrees. Acute augmentation approaches are a promising route to improve outcomes from psychological therapy.
Removal of pharmaceutical pollutants from effluent by a plant-based metal–organic framework
Authors: Svensson Grape Erik , Chacón-García Antonio J. , Rojas Sara , Pérez Yolanda , Jaworski Aleksander , Nero Mathias , Åhlén Michelle , Martínez-Ahumada Eva , Galetsa Feindt Athina E. , Pepillo Mathieu , Narongin-Fujikawa Mayumi , Ibarra Ilich A. , Cheung Ocean , Baresel Christian , Willhammar Tom , Horcajada Patricia , Inge A. Ken
Published: May 2023

Emerging organic contaminants (EOCs), such as pharmaceutical compounds, are of growing environmental concern, and there is a need to develop new materials and technologies for their efficient removal. Here we developed a highly porous and stable zirconium–ellagate framework, denoted SU-102, which was used to remove EOCs from water, including real municipal wastewater treatment plant effluent. SU-102 adsorbs cationic EOCs with particularly high efficiencies, and of the 17 pharmaceutical EOCs detected in wastewater treatment plant effluent, all 9 cationic species were removed with efficiencies of at least 79.0–99.6%, emphasizing the importance of framework charge on selectivity. As a second mechanism of EOC removal, SU-102 photodegraded the antibiotic sulphamethazine under visible light. SU-102 is synthesized from ellagic acid, an edible polyphenol building unit, highlighting the possibility of creating stable high-performance multi-functional materials from sustainably sourced plant-based components.
Bilayer tetragonal AlN nanosheets as potential cathodes for Li–O2 batteries
Authors: Wang Jiaming , Wu Hao , Pan Min , Liu Zhixiao , Han Lei , Huang Zheng , Deng Huiqiu
Published: May 2023

Li–O2 batteries are considered promising electrochemical energy storage devices due to their high specific capacity and low cost.
Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2coordination environment
Authors: Chen Luo , Li Tao , Xie Bin , Lai Chuan , Ji Run-Wu , He Jia-Yu , Cao Jia-Xi , Liu Meng-Nan , Li Wei , Zhang Dong-Liang
Published: May 2023

A new series of heteroleptic nickel complexes [p-CH3OC6H4N(PPh2)2]Ni[S2C2(C6H4R-p)2)] as stable and effective molecular electrocatalysts for hydrogen evolution are investigated with TOFs of 423–894 s−1and overpotentials of 0.91–1.02 V.
An estradiol-functionalized red-emissive photosensitizer for enhanced and precise photodynamic therapy of breast cancers
Authors: Yue Xiuxiu , Guo Tao , Zhang Hankun , Wang Benhua , Lan Minhuan , Song Xiangzhi
Published: May 2023

An estrogen receptor-targeted red-emissive photosensitizer was developed with enhanced PDT efficacy and imaging-guided ability in the therapy of breast cancers.
Stereoselective synthesis of difunctionalized succinimides from aza-1,6-enynes by radical cascade reaction
Authors: Meena Shivam A. , Sharma Poonam , Verma Akhilesh K.
Published: May 2023

A transition-metal-free one-pot synthesis of di-functionalized succinimides by radical cascade seleno/thiosulfonation of aza-1,6 enynes has been reported.
Atom-efficient arylation of N-tosylimines mediated by cooperative ZnAr2/Zn(C6F5)2 combinations
Authors: Borys Andryj M. , Kunzmann Tim , Gil-Negrete Jose M. , Hevia Eva
Published: May 2023

Operating via a special type of Zn/Zn′ cooperation, an atom-efficient method for the arylation of N-tosylimines has been developed combining nucleophilic ZnAr2 with Lewis acidic Zn(C6F5)2.
Rhodium(iii)-catalyzed mild and regioselective dearomative spirocyclization of 2-aryl-3-nitrosoindoles with alkynes
Authors: Li Cheng , Zhao Bin , Mao Guojiang , Deng Guo-Jun
Published: May 2023

A Rh(iii)-catalyzed intermolecular regioselective dearomative spirocyclization of 2-aryl-3-nitrosoindoles with alkynes is described, which provides C2-spiroindolines under mild conditions.
Ganglioside GM1 produces stable, short, and cytotoxic Aβ40 protofibrils
Authors: Kumar Manjeet , I Ivanova Magdalena , Ramamoorthy Ayyalusamy
Published: May 2023

Monosialoganglioside GM1-bound amyloid β-peptides have been found in patients’ brains exhibiting early pathological changes of Alzheimer's disease.
Simulation of solid-state phase transition indl-methionine
Authors: Ghasemlou Saba , Ensing Bernd , Cuppen Herma M.
Published: May 2023

dl-Methionine's solid-state phase transition involves conformational and packing changes, comparable to transitions in many materials. Obtaining thermodynamic properties during this transition helps to understand similar phase transitions.
Exciton diffusion in poly(3-hexylthiophene) by first-principles molecular dynamics
Authors: Diarra Cheick Oumar , Boero Mauro , Steveler Emilie , Heiser Thomas , Martin Evelyne
Published: May 2023

Molecular dynamics of P3HT in the excited state: from the trajectories of electron and holes to exciton diffusion coefficients in solar cells.
Neutron scattering study of polyamorphic THF·17(H2O) – toward a generalized picture of amorphous states and structures derived from clathrate hydrates
Authors: Brant Carvalho Paulo H. B. , Ivanov Mikhail , Andersson Ove , Loerting Thomas , Bauer Marion , Tulk Chris A. , Haberl Bianca , Daemen Luke L. , Molaison Jamie J. , Amann-Winkel Katrin , Lyubartsev Alexander P. , Bull Craig L. , Funnell Nicholas P. , Häussermann Ulrich
Published: May 2023

Neutron scattering and simulation unveil amorphous clathrate hydrate structures. THF·17(H2O) yields three amorphs under high pressure and low temperature, resembling amorphous ice. THF and water's local structure is shaped by guest–host interactions.
Realistic modelling of hydrogen bonding of 2-cyclohexenone with H2O and H3BO3 in the outer coordination sphere of a chiral diene/Rh(i) complex by ab initio molecular dynamics
Authors: Kantchev Eric Assen B. , Petkov Petko S.
Published: May 2023

Ab initio MD study in explicit 1,4-dioxane–H2O solvent reveals that Rh(i)/phbod complex of 2-cyclohexenone forms energetically favourable H-bonds with a small H2O cluster with or without H3BO3 while H-bond with H3BO3 alone is energetically disfavoured.
Unraveling the effect of hydrogenation on the mechanical properties of coiled carbon nanotubes: a molecular dynamics study
Authors: Saray Mahdi Azhari , Baghani Mostafa , Rajabpour Ali , Sharifian Ali , Baniassadi Majid
Published: May 2023

With the increase in the utilization of nanomaterials in daily life, spiral based carbon nanostructures have received the attention of many researchers due to their special physical, chemical, and electrical properties.
Boosting photo-assisted efficient electrochemical CO2 reduction reaction on transition metal single-atom catalysts supported on the C6N6 nanosheet
Authors: Dutta Supriti , Pati Swapan K.
Published: May 2023

Electrocatalytic as well as photocatalytic CO2 reduction reactions (CO2RR) on single transition metal (TM = Fe/Co/Ni) supported C6N6 frameworks by first principles calculations.
Asymmetric liquid crystalline dibenzo[a,h]anthracenes for organic semiconductors with high mobility and thermal stability
Authors: Bao Yucong , Zhang Liang , Wei Haoming , Cao Bingqiang , Yang Tengzhou
Published: May 2023

A series of asymmetric liquid crystalline organic semiconductors, Ph-DBA-Cn (n = 8, 10, 12), were developed. Particularly, a Ph-DBA-C8 device can afford exceptional mobility of up to 11.8 cm2 V−1 s−1.
Molecular mechanism study of the structural regulation of the N-terminal domain binding antibody on the receptor binding domain of SARS-CoV-2
Authors: Liu Hongtao , Tian Zihui , Yuan Shuai , Zhou Shuangyan
Published: May 2023

The potential structural regulation mechanism of the NTD binding antibody 4A8 to the RBD of S protein.
Manganese catalysed dehydrogenative synthesis of polyureas from diformamide and diamines
Authors: McLuskie Angus , Brodie Claire N. , Tricarico Michele , Gao Chang , Peters Gavin , Naden Aaron B. , Mackay C. Logan , Tan Jin-Chong , Kumar Amit
Published: May 2023

Safer feedstock. Base-metal based catalyst. Mechanistic studies. Chemical, physical, morphological, and mechanical properties of polyureas.
Wildfires in the western United States are mobilizing PM2.5-associated nutrients and may be contributing to downwind cyanobacteria blooms
Authors: Olson Nicole E. , Boaggio Katie L. , Rice R. Byron , Foley Kristen M. , LeDuc Stephen D.
Published: May 2023

Wildfire activity is increasing in the continental U.S. and can be linked to climate change effects and nutrient emissions, with potential effects on downwind ecosystems.
Harmful algae blooms: an analysis of recent spatiotemporal trends on California's inland waterbodies
Authors: Jang Kate , Otim Ochan
Published: May 2023

Impact of harmful algae blooms on beneficial uses and the environmental health of inland waterbodies in California.
Room-temperature bonding of glass chips via PTFE-assisted plasma modification for nanofluidic applications
Authors: Kang Qiushi , Wang Chenxi , Liu Kaimeng , Kitamori Takehiko
Published: May 2023

Establishment of fluorinated glass surfaces via a PTFE-assisted plasma modification strategy for room-temperature bonding of nanofluidic chips.
Bio-inspired artificial synaptic transistors: evolution from innovative basic units to system integration
Authors: Wang Xin , Ran Yixin , Li Xiaoqian , Qin Xinsu , Lu Wanlong , Zhu Yuanwei , Lu Guanghao
Published: May 2023

Summary schematic of this review regarding transistor-based synapses including materials, device structures, functional simulation and system application.
Facile synthesis of water-soluble silver nanoclusters for the photocatalytic degradation of dyes by multivariate optimization approach
Authors: Ullah Saif , Li Qinzhen , Ullah Rooh , Anwar Sadat , Hameed Muhammad Fazal , Zhu Manzhou
Published: May 2023

Silver NCs with unique properties were fabricated as ultrasmall-sized GSH@AgNCs and could have potential application in photocatalytic dye degradation.
In situ construction of oxygen vacancy-rich and fluorine-doped carbon-coated Ca2Fe2O5 for improved lithium storage performance
Authors: Zhu Piao , Yang Gang , Sun Xiujuan , Cao Qiuhan , Zhao Yongjie , Ding Rui , Liu Enhui , Gao Ping
Published: May 2023

Fluorine doping induces changes in oxygen vacancy-rich and carbon layer-coated Ca2Fe2O5 (CFO@FC) composite structures to improve lithium storage performance.
Binding symmetric porphyrins to the c-MYC promoter Pu24I G-quadruplex: toward more specific ligand recognition by flanking bases
Authors: Stanković Ivana , Zrilić Sonja , Milovanović Branislav , Stanojević Ana , Petković Milena , Etinski Mihajlo
Published: May 2023

The symmetric cationic porphyrin derivative TPyP4 exhibits higher selectivity toward flanking nucleotides of the c-MYC promoter G-quadruplex Pu24I than TMPyP4.
A 3D paddle-wheel type Cu(ii)-based MOF with pcu topology as an efficient photocatalyst for antibiotics photodegradation
Authors: Yan Mei-Hua , Wang Jun , Su Xiao-Yong , Sakiyama Hiroshi , Qi Na , Afzal Mohd , Alarifi Abdullah , Srivastava Devyani , Kumar Abhinav
Published: May 2023

A 3D paddle-wheel type Cu(ii)-based MOF with pcu topology synthesized and used as an efficient photocatalyst for antibiotics photodegradation.
Silica gel-mediated chemical degradation of dimeric pyranonaphthoquinones into their monomeric units
Authors: Ozakai Chiharu , Kitamura Kei , Kaku Hiroto
Published: May 2023

A chemical degradation of dimeric pyranonaphthoquinones mediated by silica gel into their monomeric units is described here.
Mechanism of action of an Ir(iii) complex bearing a boronic acid active as a H2O2-responsive photosensitizer: ROS generation and quinone methide release for GSH scavenging
Authors: Barretta Pierraffaele , Mazzone Gloria
Published: May 2023

The mechanism of action by computational exploration of an Ir(iii) complex bearing an aryl boronic acid moiety aiming at detecting H2O2 in cancer cells to generate an Ir(iii)-based phototosensitizer and quinone methide able to scavenge GSH.
Comparison of plasma technology for the study of herbicide degradation
Authors: Bennett Chonlada , Ngamrung Sawanya , Ano Vithun , Umongno Chanchai , Mahatheeranont Sugunya , Jakmunee Jaroon , Nisoa Mudtorlep , Leksakul Komgrit , Sawangrat Choncharoen , Boonyawan Dheerawan
Published: May 2023

The study aimed to investigate the effects of two different plasma systems, including pinhole plasma jet and gliding arc (GA) plasma, for the degradation of herbicide, diuron, in plasma activated solutions (PAS).
Photoluminescence, antibacterial, X-ray/gamma ray absorption, supercapacitor and sensor applications of ZrTiO4nanorods
Authors: S Akshay , Vidya Y. S. , Manjunatha H. C. , Prashantha S. C. , Kottam Nagaraju , Sridhar K. N. , Damodara Gupta P. S. , Mahendrakumar C.
Published: May 2023

In the present communication, ZrTiO4nanoparticles (NPs) are synthesized by the solution combustion method using urea (ZTOU) and oxalyl dihydrazide (ODH) (ZTODH) as fuel and calcined at 700 °C.
Modulated wafer-scale WS2 films based on atomic-layer-deposition for various device applications
Authors: Guo Xiangyu , Yang Hanjie , Mo Xichao , Bai Rongxu , Wang Yanrong , Han Qi , Han Sheng , Sun Qingqing , Zhang David W. , Hu Shen , Ji Li
Published: May 2023

Atomic-layer-deposition of wafer-scale WS2 that can flexibly regulate morphology and doping according to device requirements, was applied to high performance FETs and gas sensors.
A narrow band gap non-fullerene electron acceptor based on a dithieno-3,2-b:2′,3′-dlpyrrole unit for high performance organic solar cells with minimal highest occupied molecular orbital offset
Authors: Zeng Guang , Li Hanming , Tan Fang , Xin Yue , Zhang Shengdong
Published: May 2023

A new narrow band gap acceptor based on a dithieno-3,2-b:2',3'-dlpyrrole unit was synthesized. By blending a polymer PBTIBDTT with a small HOMO offset of 0.02 eV, the device gave a high PCE of 11.25% with a relatively high Voc of 0.83 V.
Partitioning and recovery of proteases from lizardfish (Saurida micropectoralis) stomach using combined phase partitioning systems and their storage stability
Authors: Kuepethkaew Sakonwat , Klomklao Sappasith , Zhang Yi , Simpson Benjamin K.
Published: May 2023

Partitioning and recovery of proteases from stomach extract (SE) and acidified stomach extract (ASE) of lizardfish using a three-phase partitioning (TPP) system in combination with an aqueous two-phase system (ATPS) was optimized.
Metabolic profiling and biological activity of twoLivistonaspecies:L. chinensisandL. australis
Authors: El-hawary Seham S. , Elwekeel Ahlam , Abo El-Ela Sara O. , Abdelmohsen Usama Ramadan , Owis Asmaa I.
Published: May 2023

Livistonaextracts are rich sources of phenolics and used in managing chronic diseases.
Convergent synthesis, kinetics insight and allosteric computational ascriptions of thiazole-(5-aryl)oxadiazole hybrids embraced with propanamides as alkaline phosphatase inhibitors
Authors: Butt Abdul Rehman Sadiq , Abbasi Muhammad Athar , Aziz-ur-Rehman  , Siddiqui Sabahat Zahra , Muhammad Shabbir , Raza Hussain , Shah Syed Adnan Ali , Shahid Muhammad , Alsehemi Abdullah G. , Kim Song Ja
Published: May 2023

Considering the varied pharmacological prominence of thiazole and oxadiazole heterocyclic moieties, a unique series of bi-heterocyclic hybrids, 8a–h, was synthesized in a convergent manner.
Preparation and properties of composite manganese/fluorine coatings on metallic titanium
Authors: Zhao Quanming , Wu Jieshi , Zhang Sujiajun , Ni Xiaohui , Wang Bo , Lu Kaihang , Zhang Pengpeng , Xu Ruisheng
Published: May 2023

Titanium is widely used in implants because of its good mechanical properties and biocompatibility.
Preparation of surface-modified electrode of copper(ii) oxide mixed with the molecularly imprinted polymer for enhancement of melamine detection with photoelectrochemical technique
Authors: Limthin Dalawan , Leepheng Piyawan , Tunhoo Benchapol , Onlaor Korakot , Klamchuen Annop , Phromyothin Darinee , Thiwawong Thutiyaporn
Published: May 2023

Facile and high sensitivity: a CuO/MIP-modified electrode for melamine detection exhibited a high sensitivity of 0.332 nA nM−1 and LOD of 2.45 nM. The modified CuO/MIP electrodes could be reused seven times with good reproducibility.
Carbon dots with tissue engineering and regenerative medicine applications
Authors: Farshidfar Nima , Fooladi Saba , Nematollahi Mohammad Hadi , Iravani Siavash
Published: May 2023

Recent advancements and new discoveries of CDs in TE-RM are deliberated, focusing on challenges and future perspectives.
Antioxidant activity of novel nitrogen scaffold with docking investigation and correlation of DFT stimulation
Authors: Shalaby Mona A. , Fahim Asmaa M. , Rizk Sameh A.
Published: May 2023

Heterocyclic scaffolds are frequently employed in drug development to treat a variety of conditions, including cancers.
Facile synthesis of chiral phenylselenides as novel antioxidants and cytotoxic agents
Authors: Laskowska Anna , Pacuła-Miszewska Agata J. , Obieziurska-Fabisiak Magdalena , Jastrzębska Aneta , Gach-Janczak Katarzyna , Janecka Anna , Ścianowski Jacek
Published: May 2023

The evaluation of antioxidant and anticancer properties of newly synthesized chiral phenylselenides revealed promising N-indanyl derivatives.
FTIR spectrum analysis to predict the crystalline and amorphous phases of hydroxyapatite: a comparison of vibrational motion to reflection
Authors: Sahadat Hossain Md. , Ahmed Samina
Published: May 2023

Crystalline and amorphous hydroxyapatites, synthesized by varying sintering temperature, were identified by FTIR instrument.
Multifunctional optical thermometry using dual-mode green emission of CaZrO3:Er/Yb/Mo perovskite phosphors
Authors: Nam Hoang Tuan , Tam Phuong Dinh , Van Hai Nguyen , Van Hoang Nhu
Published: May 2023

High-sensor sensitivity and high green color purity based on the intense green dual-mode emission of CaZrO3:Er/Yb/Mo perovskite phosphor was successfully synthesized, making it suitable for optoelectronic devices and thermal sensor applications.
You get what you screen for: a benchmark analysis of leaf branch compost cutinase variants for polyethylene terephthalate (PET) degradation
Authors: Fritzsche Stefanie , Tischer Florentin , Peukert Wolfgang , Castiglione Kathrin
Published: May 2023

Reference enzymes allow PET hydrolases and protein engineering approaches to be compared across different substrates, their properties and reaction conditions. Using this concept, semi-rational protein design led to an improved PET hydrolase variant.
Highly crosslinked polyesters prepared by ring-opening copolymerization of epoxidized baru nut and macaw palm oils with cyclic anhydrides
Authors: Vermiglio Aaron L. , Alarcon Rafael T. , Cavalheiro Éder T. G. , Bannach Gilbert , Farmer Thomas J. , North Michael
Published: May 2023

Epoxidised Brazilian vegetable oils obtained from the baru nut (Dipteryx alata Vogel) and the macaw palm (Acrocomia aculeata) react with bioderivable anhydrides (succinic, glutaric, itaconic or citraconic) to give highly crosslinked polyesters.
Negatively charged separators facilitating lithium-ion conduction to stabilize lithium metal anodes
Authors: Hu Yating , Wang Chengjie , Wu Yue , Zhao Qing , Li Ang , Zhang Qianqian , Liu Jingbing , Jin Yuhong , Wang Hao
Published: May 2023

A negative-charge-anchored separator (NCS) is proposed to immobilize the anion to achieve selective and fast Li+ transport towards constructing high-performance dendrite-free LMBs.
MOF@Cell: 3D printed biobased filters anchored with a green metal–organic framework for effluent treatment
Authors: Fijoł Natalia , Mautner Andreas , Grape Erik Svensson , Bacsik Zoltán , Inge A. Ken , Mathew Aji P.
Published: May 2023

Multifunctional, biobased materials applicable within water treatment industry, produced through additive manufacturing technology.
AlGaN-based solar-blind UV heterojunction bipolar phototransistors: structural design, epitaxial growth, and optoelectric properties
Authors: Chen Yiren , Shi Jiawang , Zhang Zhiwei , Miao Guoqing , Jiang Hong , Song Hang
Published: May 2023

A challenging development of an AlGaN-based solar-blind UV heterojunction bipolar phototransistor with a gain-type NPN structure.
A highly transparent ion conducting film enabling a visual electrochromic battery
Authors: Li Wanzhong , Bai Ting , Zhang Qianqian , Liu Jingbing , Zhou Kailing , Wang Hao
Published: May 2023

A novel ion conducting film (ICF) and complementary electrochromic materials were exploited for a visual electrochromic battery.
WASMOD: Detecting vulnerabilities in Wasm smart contracts
Authors: Zhou Jianfei , Chen Ting
Published: May 2023

Over the past few years, blockchain platforms supporting WebAssembly (Wasm) smart contracts are gaining popularity. However, Wasm smart contracts are often compiled from memory‐unsafe languages (e.g. C and C++). And there is a lack of effective defense against integer overflow and stack overflow at the compiler and virtual machine (VM) layers, making Wasm smart contracts even more exploitable than native C and C++ programs. In this paper, the authors propose wasm overflow detector (WASMOD) to address the integer overflow and stack overflow vulnerabilities. The authors’ approach combines bytecode instrumentation, run‐time validation, and grey‐box fuzzing to detect these vulnerabilities. The authors applied their approach to the popular EOSIO blockchain and evaluated it on 4616 deployed Wasm smart contracts. The authors’ approach detected 13 real‐world vulnerable smart contracts.
Distributed elastic recovery strategy of AC/DC hybrid microgrid under false data injection attack
Authors: Wang Yihe , Wang Luyuan , Xiao Xiang , Cui Haoran , Lan Liangsheng
Published: May 2023

The AC/DC hybrid microgrid, which integrates AC microgrid and DC microgrid, greatly improves the flexibility of distributed energy. However, it is imperative to acknowledge that the microgrid in question is accompanied by a significantly elevated network security risk. To solve this problem, this article proposes a false data injection attack detection and alarm method based on active power output. The detection algorithm is capable of detecting attacks at any location within the microgrid and mitigating the impact of communication delay. Moreover, a distributed elastic recovery strategy based on the aforementioned detection algorithm is proposed. This strategy aims to expeditiously restore the compromised agent to its rated state. Finally, a simulation model is developed to demonstrate the effectiveness of the proposed strategy.
Adaptive phase estimation filter in long range synthetic aperture sonar interferometry
Authors: Sæbø Torstein Olsmo , Hansen Roy Edgar
Published: May 2023

Synthetic aperture sonar (SAS) interferometry is a technique for very high resolution imaging and mapping of the seabed. In SAS interferometry, the seabed depth estimation performance is a function of the system, the geometry, the signal‐to‐noise ratio (SNR) and the filter size, equivalent to the achieved horizontal resolution. A strong driver for SNR is the imaging range and grazing angle. The variation of these parameters over a typical SAS swath gives rise to a large variation in the depth estimation performance. To mitigate the negative effect of this, we suggest to use an adaptive phase estimation filter size, such that the standard deviation of the depth estimate is proportional to the horizontal resolution. We demonstrate the suggested adaptive filter size method on long range data collected using a HUGIN Superior autonomous underwater vehicle (AUV) equipped with a HISAS 1032 Dual receiver interferometric SAS. Our technique increases the valid area coverage when the SNR is marginal, at the expense of reduced horizontal resolution.