bluuebunny/crossref_metadata_2025 huggingface dataset:
Genome-Wide Analysis and Characterization of the SDR Gene Superfamily in Cinnamomum camphora and Identification of Synthase for Eugenol Biosynthesis
Authors: Zhang Yueting , Fu Chao , Wen Shifang , Zhang Ting , Wang Xindong
Published: September 2024

Short-chain dehydrogenase/reductases (SDRs) are the largest NAD(H)-dependent oxidoreductase superfamilies and are involved in diverse metabolisms. This study presents a comprehensive genomic analysis of the SDR superfamily in Cinnamomum camphora, a species that is one of the most significant woody essential oil plants in southern China. We identify a total of 222 CcSDR proteins and classify them into five types based on their cofactor-binding and active sites: ‘atypical’, ‘classic’, ‘divergent’, ‘extended’, and ‘unknown’. Phylogenetic analysis reveals three evolutionary branches within the CcSDR proteins, and further categorization using the SDR-initiative Hidden Markov model resulted in 46 families, with the CcSDR110C, CcSDR108E, and CcSDR460A families being the most populous. Collinearity analysis identified 34 pairs of CcSDR paralogs in C. camphora, 141 pairs of SDR orthologs between C. camphora and Populus trichocarpa, and 59 pairs between C. camphora and Oryza sativa. Expression profile analysis indicates a preference for the expression of 77 CcSDR genes in specific organs such as flowers, bark, twigs, roots, leaves, or fruits. Moreover, 77 genes exhibit differential expression patterns during the four developmental stages of leaves, while 130 genes show variance across the five developmental stages of fruits. Additionally, to explore the biosynthetic mechanism of methyl eugenol, a key component of the leaf essential oil in the methyl eugenol chemotype, this study also identifies eugenol synthase (EGS) within the CcSDR460A family through an integrated strategy. Real-time quantitative PCR analysis demonstrates that the expression of CcEGS in the leaves of the methyl eugenol chemotype is more than fourfold higher compared to other chemotypes. When heterologously expressed in Escherichia coli, it catalyzes the conversion of coniferyl acetate into a mixture predominantly composed of eugenol (71.44%) and isoeugenol (21.35%). These insights pave the way for future research into the functional diversity of CcSDR genes, with a focus on secondary metabolism.
Antimicrobial Activity of Arthrospira platensis-Mediated Gold Nanoparticles against Streptococcus pneumoniae: A Metabolomic and Docking Study
Authors: Azmy Lamya , Al-Olayan Ebtesam , Abdelhamid Mohamed A. A. , Zayed Ahmed , Gheda Saly F. , Youssif Khayrya A. , Abou-Zied Hesham A. , Abdelmohsen Usama R. , Ibraheem Ibraheem B. M. , Pack Seung Pil , Elsayed Khaled N. M.
Published: September 2024

The emergence of antibiotic-resistant Streptococcus pneumoniae necessitates the discovery of novel therapeutic agents. This study investigated the antimicrobial potential of green-synthesized gold nanoparticles (AuNPs) fabricated using Arthrospira platensis extract. Characterization using Fourier transform infrared spectroscopy revealed the presence of functional groups such as ketones, aldehydes, and carboxylic acids in the capping agents, suggesting their role in AuNP stabilization. Transmission electron microscopy demonstrated the formation of rod-shaped AuNPs with a mean diameter of 134.8 nm, as determined by dynamic light scattering, and a zeta potential of −27.2 mV, indicating good colloidal stability. The synthesized AuNPs exhibited potent antibacterial activity against S. pneumoniae, with a minimum inhibitory concentration (MIC) of 12 μg/mL, surpassing the efficacy of the control antibiotic, tigecycline. To elucidate the underlying mechanisms of action, an untargeted metabolomic analysis of the A. platensis extract was performed, identifying 26 potential bioactive compounds belonging to diverse chemical classes. In silico studies focused on molecular docking simulations revealed that compound 22 exhibited a strong binding affinity to S. pneumoniae topoisomerase IV, a critical enzyme for bacterial DNA replication. Molecular dynamics simulations further validated the stability of this protein–ligand complex. These findings collectively highlight the promising antimicrobial potential of A. platensis-derived AuNPs and their constituent compounds, warranting further investigation for the development of novel anti-pneumococcal therapeutics.
Extreme Wave-Induced Pressure Distribution and Wave Forces on Tandem Pile Groups: An Experimental Study
Authors: Han Wanshui , Yu Xi , Wang Jiajia , Xu Xin , Chen Xiaokun
Published: September 2024

As the foundation of marine infrastructure, pile groups are subjected to extreme wave loads. Existing research primarily focuses on regular waves and wave forces. There is limited research on the pressure distribution of pile bodies under extreme waves. This paper describes a wave flume experiment where waves of a self-proposed extreme wave type were generated. The experiment considers three water depths (25/35/45 cm), three wave-pushing velocities (20/30/40 cm/s), and two clear distances (D, 2D). A total of 216 measuring points equipped with digital pressure sensors captured the vertical and circumferential pressure distribution and wave positive force. The results show that (1) the vertical and circumferential pressure distribution patterns of each component pile and the single pile are similar in various loading scenarios and clear distances. (2) The measuring point pressure, pressure after circumferential integration, and wave positive force are positively correlated with wave-pushing velocity. (3) The wave pressure is positively correlated with the water depth, while the pressure after circumferential integration is negatively correlated with the water depth. (4) When the clear distance is D, the wave positive force coefficient of each component pile is less than 1.0.
A Review of the Development of Titanium-Based and Magnesium-Based Metallic Glasses in the Field of Biomedical Materials
Authors: Cai Zeyun , Du Peng , Li Kun , Chen Lina , Xie Guoqiang
Published: September 2024

This article reviews the research and development focus of metallic glasses in the field of biomedical applications. Metallic glasses exhibit a short-range ordered and long-range disordered glassy structure at the microscopic level, devoid of structural defects such as dislocations and grain boundaries. Therefore, they possess advantages such as high strength, toughness, and corrosion resistance, combining characteristics of both metals and glasses. This novel alloy system has found applications in the field of biomedical materials due to its excellent comprehensive performance. This review discusses the applications of Ti-based bulk metallic glasses in load-bearing implants such as bone plates and screws for long-term implantation. On the other hand, Mg-based metallic glasses, owing to their degradability, are primarily used in degradable bone nails, plates, and vascular stents. However, metallic glasses as biomaterials still face certain challenges. The Young’s modulus value of Ti-based metallic glasses is higher than that of human bones, leading to stress-shielding effects. Meanwhile, Mg-based metallic glasses degrade too quickly, resulting in the premature loss of mechanical properties and the formation of numerous bubbles, which hinder tissue healing. To address these issues, we propose the following development directions: (1) Introducing porous structures into titanium-based metallic glasses is an important research direction for reducing Young’s modulus; (2) To enhance the bioactivity of implant material surfaces, the surface modification of titanium-based metallic glasses is essential. (3) Developing antibacterial coatings and incorporating antibacterial metal elements into the alloys is essential to maintain the long-term effective antibacterial properties of metallic biomaterials. (4) Corrosion resistance must be further improved through the preparation of composite materials, while ensuring biocompatibility and safety, to achieve controllable degradation rates and degradation modes.
Investigation of the Time-Dependent Deformation of Recycled Aggregate Concrete in a Water Environment
Authors: Liu Xingzong , Gong Bin , Fu Yufang , Jiang Guanghui , Wang Jintao
Published: September 2024

The water environment greatly affects the creep deformation of recycled aggregate concrete (RAC). Hence, a humidity–stress–damage coupling numerical model was used for investigating the time-dependent deformation of RAC in the water environment in this study. Firstly, uniaxial compression and water absorption tests were performed to determine the calculation parameters of the creep numerical simulation of RAC in a water environment. Experimental results indicate that the elastic modulus and compressive strength drop as the water content increases. Then, the time-dependent deformation of RAC in a water environment was studied using a numerical simulation test of compressive creep when multiple stress levels were applied, and the critical stress for accelerated creep and the long-term strength of RAC were obtained. Finally, the influence of confining pressures on the long-term deformation of RAC in a water environment was discussed. When there is no confining pressure, the long-term strength of RAC is 23.53 MPa. However, when a confining pressure of 3.921 MPa is loaded onto RAC, the long-term strength of RAC is 47.052 MPa, which increases by 100%. Increasing confining pressures has an obvious effect on ensuring the long-term stable application of RAC in a water environment. Compared with the creep test, the method adopted in this study saves time and money and provides the theoretical basis for evaluating the time-dependent deformation of RAC in a water environment.
The Influence of Deep Cryogenic Treatment (DCT) on the Microstructure Evolution and Mechanical Properties of TC4 Titanium Alloy
Authors: Lan Xuzhi , Xu Yulang , Li Jingyong , Gong Yifeng , Shi Mingxiao
Published: September 2024

Deep cryogenic treatment (−196 °C, DCT) is an emerging application that can make significant changes to many materials. In this study, DCT was applied to Ti6Al4V (TC4) titanium alloy, and we delved into an examination of the impact on its microstructural morphologies and mechanical properties. It was observed that DCT has a significant effect on the grain refinement of the TC4 titanium alloy base material. Obvious grain refinement behavior can be observed with 6 h of DCT, and the phenomenon of grain refinement becomes more pronounced with extension of the DCT time. In addition, DCT promotes the transformation of the β phase into the α′ phase in the TC4 titanium alloy base material. XRD analysis further confirmed that DCT leads to the transformation of the β phase into the α′ phase. The element vanadium was detected by scanning electron microscopy, and it was found that the β phase inside the base material had transformed into the α′ phase. It was observed that DCT has a positive influence on the hardness of the TC4 titanium alloy base material. The hardness of the sample treated with 18 h of DCT increased from 331.2 HV0.5 to 362.5 HV0.5, presenting a 9.5% increase compared to the sample without DCT. Furthermore, it was proven that DCT had little effect on the tensile strength but a significant impact on the plasticity and toughness of the base material. In particular, the elongation and impact toughness of the sample subject to 18 h of DCT represented enhancements of 27.33% and 8.09%, respectively, compared to the raw material without DCT.
An Attribute-Based End-to-End Policy-Controlled Signcryption Scheme for Secure Group Chat Communication
Authors: Yu Feng , Meng Linghui , Li Xianxian , Jiang Daicen , Zhu Weidong , Zeng Zhihua
Published: September 2024

Secure instant communication is an important topic of information security. A group chat is a highly convenient mode of instant communication. Increasingly, companies are adopting group chats as a daily office communication tool. However, a large volume of messages in group chat communication can lead to message overload, causing group members to miss important information. Additionally, the communication operator’s server may engage in the unreliable behavior of stealing information from the group chat. To address these issues, this paper proposes an attribute-based end-to-end policy-controlled signcryption scheme, aimed at establishing a secure and user-friendly group chat communication mode. By using the linear secret sharing scheme (LSSS) with strong expressive power to construct the access structure in the signcryption technology, the sender can precisely control the recipients of the group chat information to avoid message overload. To minimize computational cost, a signcryption step with constant computational overhead is designed. Additionally, a message-sending mechanism combining “signcryption + encryption” is employed to prevent the operator server from maliciously stealing group chat information. Rigorous analysis shows that PCE-EtoE can resist adaptive chosen-ciphertext attacks under the standard model. Simulation results demonstrate that our theoretical derivation is correct, and that the PCE-EtoE scheme outperforms existing schemes in terms of computational cost, making it suitable for group chat communication.
Dissipation and Dietary Risk Assessment of the Fungicide Pyraclostrobin in Apples Using Ultra-High Performance Liquid Chromatography–Mass Spectrometry
Authors: Wang Bin , Shi Lei , Ren Pengcheng , Qin Shu , Li Jindong , Cao Junli
Published: September 2024

The fungicide pyraclostrobin is the main measure used to control apple alternaria blotch in production. To evaluate the potential dietary risks for consumers, the dissipation and terminal residues of pyraclostrobin were investigated using ultra-high performance liquid chromatography–mass spectrometry (UHPLC–MS/MS). Pyraclostrobin in apples was extracted by acetonitrile with 2% ammonia and then purified using primary secondary amine (PSA) and graphitized carbon black (GCB). The method showed good linearity within the concentration range of 0.005–0.1 mg L−1, with a coefficient of determination (R2) ≥ 0.9958. The recoveries ranged from 96.0% to 103.8%, with relative standard deviations (RSDs) between 0.8% and 2.3%. The limit of quantification (LOQ) was 0.01 mg kg−1. Pyraclostrobin dispersible oil suspension was applied in 12 apple fields across China according to good agricultural practices (GAPs). In Beijing and Shandong, the dissipation of pyraclostrobin followed first-order kinetic equations, with a half-life of 11 days. The terminal residues ranged from <0.01 to 0.09 mg kg−1. The national estimated daily intake (NEDI) of pyraclostrobin was compared with the acceptable daily intake (ADI), resulting in risk quotient (RQc) of 80.8%. These results suggest that pyraclostrobin poses a low health risk to consumers under GAP conditions and according to recommended dosages.
Ionic Liquid/Deep Eutectic Solvent-Mediated Calcining Synthesis of Cobalt-Based Electrocatalysts for Water Splitting
Authors: Zhang Chenyun , Jin Jianjiao , Wang Jiahao , Sun Fangfang , Xu Jiacheng , Wang Shun , Xu Lihua , Zhang Jing , Xin Bingwei
Published: September 2024

The recent advancements of ionic liquids (ILs) and deep eutectic solvents (DESs) in the synthesis of cobalt-based catalysts for water splitting is reviewed. ILs and DESs possess unique physical and chemical properties, serving as solvents, templates, and reagents. Combined with calcination techniques, their advantages can be fully leveraged, enhancing the stability and activity of resulted catalysts. In these solvents, not only are they suitable for simple one-step calcination, but also applicable to more complex multi-step calcination, suitable for more complex reaction conditions. The designability of ILs and DESs allows them to participate in the reaction as reactants, providing metal and heteroatoms, simplifying the preparation system of cobalt phosphide, sulfide, and nitride. This work offers insights into design principles for electrocatalysts and practical guidance for the development of efficient and high-performance materials for hydrogen production and energy storage systems.
Driving Forces in the Formation of Paracetamol Cocrystals and Solvate with Naphthalene, Quinoline and Acridine
Authors: Muzioł Tadeusz M. , Bronikowska Emilia
Published: September 2024

Paracetamol is an important analgesic and antipyretic drug showing poor tabletability. Among the various approaches used to improve this property, understanding the forces that govern the crystal packing is revealed to be crucial. We prepared three stable compounds: (par)2∙(nap) (1), (par)∙(quin) (2), and (par)∙(acr) (3) (nap—naphthalene, quin—quinoline, acr—acridine) being cocrystals or solvate. The structural studies showed that all the reported compounds are composed of alternately arranged layers of paracetamol and coformer. Several supramolecular motifs in the paracetamol layer were identified: R44(22) in (1); R64(20) and R22(8) in (2); and R22(8), R42(12), and R44(26) rings in (3). The stability of the crystal network was studied by interactions analysis performed by Hirshfeld surface and fingerprint approaches and the energy between the closest units in the crystal network was calculated. It showed that the strongest interactions were found between blocks connected by N-H⋯O=C and O-H⋯O/N hydrogen bonds due to an important coulombic factor. The dispersive energy becomes important for tail-to-tail (and head-to-tail) arranged paracetamol units, and it prevails in the case of stacking interactions between coformer molecules. The importance of dispersive forces increases with the size of the aromatic system of the coformer. XAS studies confirmed the successful preparation of compounds and provided some details about electron structure.
Investigation of Persistent Photoconductivity of Gallium Nitride Semiconductor and Differentiation of Primary Neural Stem Cells
Authors: Meng Yu , Du Xiaowei , Zhou Shang , Li Jiangting , Feng Rongrong , Zhang Huaiwei , Xu Qianhui , Zhao Weidong , Liu Zheng , Zhong Haijian
Published: September 2024

A gallium nitride (GaN) semiconductor is one of the most promising materials integrated into biomedical devices to play the roles of connecting, monitoring, and manipulating the activity of biological components, due to its excellent photoelectric properties, chemical stability, and biocompatibility. In this work, it was found that the photogenerated free charge carriers of the GaN substrate, as an exogenous stimulus, served to promote neural stem cells (NSCs) to differentiate into neurons. This was observed through the systematic investigation of the effect of the persistent photoconductivity (PPC) of GaN on the differentiation of primary NSCs from the embryonic rat cerebral cortex. NSCs were directly cultured on the GaN surface with and without ultraviolet (UV) irradiation, with a control sample consisting of tissue culture polystyrene (TCPS) in the presence of fetal bovine serum (FBS) medium. Through optical microscopy, the morphology showed a greater number of neurons with the branching structures of axons and dendrites on GaN with UV irradiation. The immunocytochemical results demonstrated that GaN with UV irradiation could promote the NSCs to differentiate into neurons. Western blot analysis showed that GaN with UV irradiation significantly upregulated the expression of two neuron-related markers, βIII-tubulin (Tuj-1) and microtubule-associated protein 2 (MAP-2), suggesting that neurite formation and the proliferation of NSCs during differentiation were enhanced by GaN with UV irradiation. Finally, the results of the Kelvin probe force microscope (KPFM) experiments showed that the NSCs cultured on GaN with UV irradiation displayed about 50 mV higher potential than those cultured on GaN without irradiation. The increase in cell membrane potential may have been due to the larger number of photogenerated free charges on the GaN surface with UV irradiation. These results could benefit topical research and the application of GaN as a biomedical material integrated into neural interface systems or other bioelectronic devices.
An Unprecedented Tridentate-Bridging Coordination Mode of Permanganate Ions: The Synthesis of an Anionic Coordination Polymer—[CoIII(NH3)6]n[(K(κ1-Cl)2(μ2,2′,2″-(κ3-O,O′,O″-MnO4)2)n∞]—Containing Potassium Central Ion and Chlorido and Permanganato Ligands
Authors: Kótai László , Béres Kende Attila , Farkas Attila , Holló Berta Barta , Petruševski Vladimir M. , Homonnay Zoltán , Trif László , Franguelli Fernanda Paiva , Bereczki Laura
Published: September 2024

A unique compound (compound 1) with structural features including an unprecedented tridentate-bridging coordination mode of permanganate ions and an eight-coordinated (rhombohedral) κ1-chlorido and tridentate permanganato ligand in a potassium complex containing coordination polymer (CoIII(NH3)6]n[(K(κ1-Cl)2(μ2,2′,2″-(κ3-O,O′,O″-MnO4)2)n∞) with isolated regular octahedral hexamminecobalt(III) cation was synthesized with a yield of >90%. The structure was found to be stabilized by mono and bifurcated N-H∙∙∙Cl and N-H∙∙∙O (bridging and non-bridging) hydrogen bonds. Detailed spectroscopic (IR, far-IR, and Raman) studies and correlation analysis were performed to assign all vibrational modes. The existence of a resonance Raman effect of compound 1 was also observed. The thermal decomposition products at 500 °C were found to be tetragonal nano-CoMn2O4 spinel with 19–25 nm crystallite size and KCl. The decomposition intermediates formed in toluene at 110 °C showed the presence of a potassium- and chloride-containing intermediates combined into KCl during aqueous leaching, together with the formation of cobalt(II) nitrate hexahydrate. This means that the CoIII–CoII redox reaction and the complete decomposition of the permanganate ions occurred in the first decomposition step, with a partial oxidation of ammonia into nitrate ions.
Privileged Scaffold Hybridization in the Design of Carbonic Anhydrase Inhibitors
Authors: Secci Daniela , Sanna Erica , Distinto Simona , Onali Alessia , Lupia Antonio , Demuru Laura , Atzeni Giulia , Meleddu Rita , Cottiglia Filippo , Angeli Andrea , Supuran Claudiu T. , Maccioni Elias
Published: September 2024

Human Carbonic Anhydrases (hCA) are enzymes that contribute to cancer’s development and progression. Isoforms IX and XII have been identified as potential anticancer targets, and, more specifically, hCA IX is overexpressed in hypoxic tumor cells, where it plays an important role in reprogramming the metabolism. With the aim to find new inhibitors towards IX and XII isoforms, the hybridization of the privileged scaffolds isatin, dihydrothiazole, and benzenesulfonamide was investigated in order to explore how it may affect the activity and selectivity of the hCA isoforms. In this respect, a series of isatin thiazolidinone hybrids have been designed and synthesized and their biological activity and selectivity on hCA I, hCA II, hCA IX, and hCA XII explored. The new compounds exhibited promising inhibitory activity results on isoforms IX and XII in the nanomolar range, which has highlighted the importance of substituents in the isatin ring and in position 3 and 5 of thiazolidinone. In particular, compound 5g was the most active toward hCA IX, while 5f was the most potent inhibitor of hCA XII within the series. When both potency and selectivity were considered, compound 5f appeared as one of the most promising. Additionally, our investigations were supported by molecular docking experiments, which have highlighted the putative binding poses of the most promising compound.
Cyano-Substituted Oligo(p-phenylene vinylene) Derivatives with Aggregation-Induced Enhanced Emissions and Mechanofluorochromic Luminescence
Authors: Zhu Xinju , Pan Yaru , Zhao Xinran , Yuan Yu , Zhai Zewen , Yu Xiaoni , Zhang Wenjing , Chang Yuanyuan , Song Bing , Shi Linlin , Hao Xinqi
Published: September 2024

Developing red fluorescence emitters with simple structures via convenient synthetic routes is highly desirable yet challenging. Herein, two novel donor–acceptor-type red emitters, DCFOPV-TPA and SCFOPV-TPA, featuring the intramolecular charge transfer effect were designed by integrating triphenylamine and trifluoromethyl into a CN-substituted oligo(p-phenylene vinylene) backbone. Both chromophores exhibited aggregation-induced enhanced emission and solvatochromic behavior. Moreover, DCFOPV-TPA also displayed reversible mechanofluorochromic properties under external force.
A Novel 5-Chloro-N-Phenyl-1 H-Indole-2-carboxamide Derivative as a Glycogen Phosphorylase Inhibitor: Evaluating the Long-Term Drug Effects on Muscle Function for the First Time
Authors: Zhao Yifan , Yan Zhiwei , Li Shuai , Wang Youde , Guo Yachun , Wang Tienan , Zhang Liying
Published: September 2024

Compound 1 was previously identified by our team as a glycogen phosphorylase (GP) inhibitor with glucose-lowering activity and demonstrated to have protective effects against myocardial and cerebral ischemia. However, its impact on muscle function has not been clarified. This study is the first to evaluate the long-term effects of GP inhibitors on muscle function and metabolism. After a 28-day administration of Compound 1, we performed assays to assess muscle function and biochemical parameters in rats. We observed reductions in peak holding force, duration, tetanic contraction force, single-contraction force, and electromyographic signals under 20 s and 10 min contraction stimuli. The metabolic analysis showed no significant effects on muscle glycogen, ATP, lactic acid, and uric acid levels at low doses. In contrast, medium to high doses resulted in increased glycogen, decreased ATP, and reduced lactic acid (only at high doses), without affecting uric acid. These findings suggest that Compound 1 may adversely affect muscle function in rats, potentially due to the glycogen inhibition effects of GP inhibitors. This study provides crucial safety data and insights into the long-term effects of GP inhibitors on rat muscles, which will guide future developments and applications.
The Proteolytic Activity of Neutrophil-Derived Serine Proteases Bound to the Cell Surface Arming Lung Epithelial Cells for Viral Defense
Authors: Assylbekova Akmaral , Allayarova Maiya , Konysbekova Moldir , Bekturgan Amanbek , Makhanova Aiya , Brown Samantha , Grzegorzek Norbert , Kalbacher Hubert , Kalendar Ruslan , Burster Timo
Published: September 2024

The collaboration between cellular proteases and host cells is pivotal in mounting an effective innate immune defense. Of particular interest is the synergistic interaction between cathepsin G (CatG) and neutrophil elastase (NE), which are proteases secreted by activated neutrophils, and the human alveolar basal epithelial cell line (A549) and the human lung epithelial-like cell line (H1299), because of the potential implications for viral infection. Our study aimed to investigate the binding capacity of CatG and NE on the surface of A549 and H1299 cells through preincubation with purified CatG and NE; thereby, the proteolytic activity could be detected using activity-based probes. Both CatG and NE were capable of binding to the cell surface and exhibited proteolytic activity, leading to increased cell surface levels of MHC I molecules, which is crucial for displaying the endogenous antigenic repertoire. In addition, CatG cleaved the S2′ site of the SARS-CoV-2 spike protein at two specific sites (815RS816 and 817FI818) as well as NE (813SK814 and 818IE819), which potentially leads to the destruction of the fusion peptide. Additionally, furin required the presence of Ca2+ ions for the distinct cleavage site necessary to generate the fusion peptide. Overall, the findings suggest that CatG and NE can fortify target cells against viral entry, underscoring the potential significance of cell surface proteases in protecting against viral invasion.
Rational Design and Modification of NphB for Cannabinoids Biosynthesis
Authors: Xia Wenhao , Liu Shimeng , Chu Huanyu , Chen Xianqing , Huang Lihui , Bai Tao , Jiao Xi , Wang Wen , Jiang Huifeng , Wang Xiao
Published: September 2024

The rapidly growing field of cannabinoid research is gaining recognition for its impact in neuropsychopharmacology and mood regulation. However, prenyltransferase (NphB) (a key enzyme in cannabinoid precursor synthesis) still needs significant improvement in order to be usable in large-scale industrial applications due to low activity and limited product range. By rational design and high-throughput screening, NphB’s catalytic efficiency and product diversity have been markedly enhanced, enabling direct production of a range of cannabinoids, without the need for traditional enzymatic conversions, thus broadening the production scope of cannabinoids, including cannabigerol (CBG), cannabigerolic acid (CBGA), cannabigerovarin (CBGV), and cannabigerovarinic acid (CBGVA). Notably, the W3 mutant achieved a 10.6-fold increase in CBG yield and exhibited a 10.3- and 20.8-fold enhancement in catalytic efficiency for CBGA and CBGV production, respectively. The W4 mutant also displayed an 9.3-fold increase in CBGVA activity. Molecular dynamics simulations revealed that strategic reconfiguration of the active site’s hydrogen bonding network, disulfide bond formation, and enhanced hydrophobic interactions are pivotal for the improved synthetic efficiency of these NphB mutants. Our findings advance the understanding of enzyme optimization for cannabinoid synthesis and lay a foundation for the industrial-scale production of these valuable compounds.
The Thermal Activation of Serpentinite from the Zhitikarinsky Deposit (Kazakhstan)
Authors: Auyeshov Abdrazak , Arynov Kazhymuhan , Satimbekova Asem , Yeskibayeva Chaizada , Alzhanov Kurman
Published: September 2024

Changes in the phase composition of serpentinite from the Zhitikarinsky deposit (Kazakhstan) were studied during heat treatment in the temperature range of 105–800 °C in order to determine the phase that leads to an increase in the reactivity of serpentinite during interactions with acids. In accordance with this, the task was set to consider the influence of temperatures (105 °C, 600 °C, 660 °C, 725 °C, 750 °C and 800 °C), selected according to the extreme points of the main transformations from its derivatogram, on changes in the phase composition. The effects of heat treatment on the phase composition and reactivity of serpentinite during interactions with sulfuric acid were studied and discussed using the diffraction patterns of serpentinite heat treated at selected temperatures for 1 h and using methods of thermodynamic evaluation of the possible reactions in the temperature range of 350–750 °C, as well as establishing the nature of their interaction with sulfuric acid under identical conditions. It has been shown that, in the range of 600–750 °C, the crystal lattice of the structural composition of serpentinite is completely destroyed with the formation of not only magnesium silicates but possibly also magnesium oxide, which leads to the thermal activation of serpentinite in relation to interactions with acids and the improvement of the technological process of extracting magnesium from it. The greatest increase in reactivity was found in serpentinite samples heat treated at temperatures of 725 °C and 750 °C, which can be recommended for the thermal activation of serpentinite before using acid methods to improve the technological performance of the process of extracting magnesium from serpentinite.
Whole Plant Extracts for Neurocognitive Disorders: A Narrative Review of Neuropsychological and Preclinical Studies
Authors: Piva Alessandro , Benvegnù Giulia , Negri Stefano , Commisso Mauro , Ceccato Sofia , Avesani Linda , Guzzo Flavia , Chiamulera Cristiano
Published: September 2024

The incidence of neurodegenerative disorders like Alzheimer’s or Parkinson’s Disease, characterized by a progressive cognitive decline, is rising worldwide. Despite the considerable efforts to unveil the neuropsychological bases of these diseases, there is still an unmet medical need for effective therapies against cognitive deficits. In recent years, increasing laboratory evidence indicates the potential of phytotherapy as an integrative aid to improve cognitive functions. In this review, we describe the data of plant whole extracts or single compounds’ efficacy on validated preclinical models and neuropsychological tests, aiming to correlate brain mechanisms underlying rodent behavioral responses to human findings. After a search of the literature, the overview was limited to the following plants: Dioscorea batatas, Ginkgo biloba, Melissa officinalis, Nigella sativa, Olea europaea, Panax ginseng, Punica granatum, and Vitis vinifera. Results showed significant improvements in different cognitive functions, such as learning and memory or visuospatial abilities, in both humans and rodents. However, despite promising laboratory evidence, clinical translation has been dampened by a limited pharmacological characterization of the single bioactive components of the herbal products. Depicting the contribution of the single phytochemicals to the phytocomplex’s pharmacological efficacy could enable the comprehension of their potential synergistic activity, leading to phytotherapy inclusion in the existing therapeutic package against cognitive decline.
What Environmental Metrics Are Used in Scientific Research to Estimate the Impact of Human Diets?
Authors: Aceves-Martins Magaly , Lofstedt Anneli , Godina Flores Naara Libertad , Ortiz Hernández Danielle Michelle , de Roos Baukje
Published: September 2024

Background/Objectives: Metrics drive diagnosis, and metrics will also drive our response to the challenge of climate change. Recognising how current scientific research defines and uses metrics of the environmental impact of human diets is essential to understand which foods, food groups, or dietary patterns are associated with a higher environmental impact. Methods: This research, aided by artificial intelligence (AI), aimed to search, map, and synthesise current evidence on the commonly used definitions and metrics of the environmental impacts of human diets. Results: We identified 466 studies measuring the environmental impact of diets. Most studies were from North American or European countries (67%), with data mainly from high-income countries (81%). Most studies did not include methods to recall the provenance of the foods consumed. Most (53%) of the studies only used one metric to estimate the environmental impact of human diets, with 82% of the studies using GHGE. Conclusions: Agreement on how the environmental impact of diets is measured and more comprehensive and accurate data on the environmental impact of single foods is essential to better understand what changes in food systems are needed, at a consumer and policy level, to make a well-meaning change towards a more sustainable diet.
Effect of the Mediterranean Diet (MeDi) on the Progression of Retinal Disease: A Narrative Review
Authors: Sbai Oualid , Torrisi Filippo , Fabrizio Federico Pio , Rabbeni Graziella , Perrone Lorena
Published: September 2024

Worldwide, the number of individuals suffering from visual impairment, as well as those affected by blindness, is about 600 million and it will further increase in the coming decades. These diseases also seriously affect the quality of life in working-age individuals. Beyond the characterization of metabolic, genetic, and environmental factors related to ocular pathologies, it is important to verify how lifestyle may participate in the induction of the molecular pathways underlying these diseases. On the other hand, scientific studies are also contributing to investigations as to whether lifestyle could intervene in modulating pathophysiological cellular responses, including the production of metabolites and neurohormonal factors, through the intake of natural compounds capable of interfering with molecular mechanisms that lead to ocular diseases. Nutraceuticals are promising in ameliorating pathophysiological complications of ocular disease such as inflammation and neurodegeneration. Moreover, it is important to characterize the nutritional patterns and/or natural compounds that may be beneficial against certain ocular diseases. The adherence to the Mediterranean diet (MeDi) is proposed as a promising intervention for the prevention and amelioration of several eye diseases. Several characteristic compounds and micronutrients of MeDi, including vitamins, carotenoids, flavonoids, and omega-3 fatty acids, are proposed as adjuvants against several ocular diseases. In this review, we focus on studies that analyze the effects of MeDi in ameliorating diabetic retinopathy, macular degeneration, and glaucoma. The analysis of knowledge in this field is requested in order to provide direction on recommendations for nutritional interventions aimed to prevent and ameliorate ocular diseases.
Rat Sympathetic Neuron Calcium Channels Are Insensitive to Gabapentin
Authors: Scott Mallory B. , Kammermeier Paul J.
Published: September 2024

The gabapentenoids such as gabapentin (GP) and pregabalin are approved for the treatment of chronic pain, but their utility is limited by persistent side effects. These adverse effects result from GPs affecting many types of neurons and muscle cells, not just the pain-sensing neurons that are the intended targets. We have recently discovered a type of peripheral neuron, rat sympathetic neurons from the superior cervical ganglion (SCG), that is uniquely insensitive to GP effects. Currents were measured using whole-cell patch-clamp electrophysiology from cells in primary culture from either the SCG or the Nodose Ganglion (NDG) as a positive control for the effects of GP. We find that the calcium current density was dramatically reduced by GP pretreatment in NDG neurons, but that neurons from the SCG were resistant. Further, when GP was cytoplasmically injected into these neurons, the resistance of SCG neurons to GP treatment persisted. These data demonstrate that rat sympathetic neurons appear to be uniquely resistant to GP treatment. These results may help us to better understand the mechanism of action of, and resistance to, GP in altering calcium channel current density, which may help to develop future treatments with fewer side effects.
Westward Migration of the Chenghai–Jinsha Drainage Divide and Its Implication for the Initiation of the Chenghai Fault
Authors: Bian Shuang , Tan Xibin , Liu Yiduo , Shi Feng , Gong Junfeng
Published: September 2024

The Chenghai Fault in the Chuan–Dian block terminates at the northwestern segment of the Red River Fault, and is a significant seismogenic structure. The kinematic evolution of this fault should be closely related to the regional tectonic deformation. However, it is difficult to obtain information on structural deformation of the Chenghai Fault due to the large amount of precipitation and well-developed vegetation. The Chenghai normal faulting may drive drainage reorganization in this region, which provides a new perspective for reconstructing and evaluating the tectonic history. High-resolution digital elevation models (DEM) obtained by remote sensing greatly facilitate the study of drainage evolution and active tectonics. We use two methods (χ-plot and Gilbert metrics) to measure the drainage divide stability based on the ALOS DEM (12.5 m resolution) and further reproduce the drainage evolution process in response to the asymmetric uplift by numerical modeling. The results show that the Chenghai–Jinsha drainage divide, hosted by the footwall block of the Chenghai Fault, is migrating westward (away from the Chenghai Fault) and will continue moving ~2.2–3.5 km to reach a steady state. Its migration is controlled by the Chenghai normal faulting. The Chenghai–Jinsha drainage divide formed close to the Chenghai Fault’s surface trace and continues to migrate westward in response to the asymmetric uplift. It only took a few million years for the Chenghai–Jinsha drainage divide to migrate to its current location based on the numerical modeling. The restoration of the drainage reorganization implies that the Chenghai Fault initiated in the Pliocene, which probably results from kinematic reversal along the Red River Fault.
Variation in Glacier Albedo on the Tibetan Plateau between 2001 and 2022 Based on MODIS Data
Authors: Liu Ping , Wu Guangjian , Cao Bo , Zhao Xuanru , Chen Yuxuan
Published: September 2024

Albedo is a primary driver of the glacier surface energy balance and consequent melting. As glacier albedo decreases, it further accelerates glacier melting. Over the past 20 years, glaciers on the Tibetan Plateau have experienced significant melting. However, our understanding of the variations in glacier albedo and its driving factors in this region remains limited. This study used MOD10A1 data to examine the average characteristics and variations in glacier albedo on the Tibetan Plateau from 2001 to 2022; the MOD10A1 snow cover product, developed at the National Snow and Ice Data Center, was employed to analyze spatiotemporal variations in surface albedo. The results indicate that the albedo values of glaciers on the Tibetan Plateau predominantly range between 0.50 and 0.60, with distinctly higher albedo in spring and winter, and lower albedo in summer and autumn. Glacier albedo on the Tibetan Plateau decreased at an average linear regression rate of 0.06 × 10−2 yr−1 over the past two decades, with the fastest declines occurring in autumn at an average rate of 0.18 × 10−2 yr−1, contributing to the prolongation of the melting period. Furthermore, significant variations in albedo change rates with altitude were found near the snowline, which is attributed to the transformation of the snow and ice surface. The primary factors affecting glacier albedo on the Tibetan Plateau are temperature and snowfall, whereas in the Himalayas, black carbon and dust primarily influence glacier albedo. Our findings reveal a clear decrease in glacier albedo on the Tibetan Plateau and demonstrate that seasonal and spatial variations in albedo and temperature are the most important driving factors. These insights provide valuable information for further investigation into surface albedo and glacier melt.
Quantifying the Pabu Normal Fault Scarp, Southern Tibetan Plateau: Insights into Regional Earthquake Risk
Authors: Ha Guanghao , Liu Feng
Published: September 2024

The location of the main boundary fault of the Yadong-Gulu Rift (YGR) shifts from the east side in the southern segment to the west side in the northern segment. The Nyemo Graben Group (NGG) connects the southern and northern segments of the YGR and provides clues for understanding the migration of boundary fault locations along the YGR. However, the NGG has received very little attention. In this study, we map the geometry of the Pabu normal fault, which is the boundary fault of the westernmost graben in the NGG, using high-resolution remote sensing images. We then utilized a digital elevation model (DEM) with a spatial resolution of 1 m. Morphometric parameters such as scarp height, width, and slope were obtained from elevation profiles in three typical deformation regions. Our results reveal a fault segment approximately 3 km long that links the southern and northern segments of the Pabu Fault. Each fault segment could be a major segment. Furthermore, based on regional tectonic activity, the Pabu Fault has the potential to produce an earthquake with a magnitude of around M 6.7.
SfM Photogrammetry for Cost-Effective 3D Documentation and Rock Art Analysis of the Dombate Dolmen (Spain) and the Megalithic Sites of Chã dos Cabanos and Chã da Escusalha (Portugal)
Authors: Peña-Villasenín Simón , Gil-Docampo Mariluz , Ortiz-Sanz Juan , Vilas Boas Luciano , Bettencourt Ana M. S. , Cabanas Manés F.
Published: September 2024

SfM (structure from motion) photogrammetry is a technique developed in the field of computer vision that enables the generation of three-dimensional (3D) models from a set of overlapping images captured from disparate angles. The application of this technique in the field of cultural heritage, particularly in the context of megalithic monuments, is inherently challenging due to the spatial constraints of these environments and the usual limitations posed by their architectural design, which often results in poor lighting conditions. This article presents an accurate and cost-efficient methodology for the study and documentation of rock art, which has been applied to three megalithic monuments in the Iberian Peninsula: one in Spain and two in Portugal. The three working environments are complex, but the combination of techniques used and improvements such as rendering for the enhancement of engravings and the creation of 3D stop-motion models made it possible to integrate all the information in 3D formats that allow its universal dissemination. This not only preserves the heritage in graphic form but also makes it accessible to the public, both for study and for virtual visits.
Robust Direction Estimation of Terrestrial Signal via Sparse Non-Uniform Array Reconfiguration under Perturbations
Authors: Lang Rongling , Xu Hao , Gao Fei
Published: September 2024

DOA (Direction of Arrival), as an important observation parameter for accurately locating the Signals of Opportunity (SOP), is vital for navigation in GNSS-challenged environments and can be effectively obtained through sparse arrays. In practical application, array perturbations affect the estimation accuracy and stability of DOA, thereby adversely affecting the positioning performance of SOP. Against this backdrop, we propose an approach to reconstruct non-uniform arrays under perturbation conditions, aiming to improve the robustness of DOA estimation in sparse arrays. Firstly, we theoretically derive the mathematical expressions of the Cramér–Rao Bound (CRB) and Spatial Correlation Coefficient (SCC) for the uniform linear array (ULA) with perturbation. Then, we minimize CRB as the objective function to mitigate the adverse effects of array perturbations on DOA estimation, and use SCC as a constraint to suppress sidelobes. By doing this, the non-uniform array reconstruction model is formulated as a high-order 0–1 optimization problem. To effectively solve this nonconvex model, we propose a polynomial-time algorithm, which can converge to the optimal approximate solution of the original model. Finally, through a series of simulation experiments utilizing frequency modulation (FM) signal as an example, the exceptional performance of this method in array reconstruction has been thoroughly validated. Experimental data show that the reconstructed non-uniform array excels in DOA estimation accuracy compared to other sparse arrays, making it particularly suitable for estimating the direction of terrestrial SOP in perturbed environments.
Lunar Exploration Based on Ground-Based Radar: Current Research Progress and Future Prospects
Authors: Xu Jiangwan , Ding Chunyu , Su Yan , Ding Zonghua , Yang Song , Li Jiawei , Dong Zehua , Sharma Ravi , Qiu Xiaohang , Lei Zhonghan , Chen Haoyu , Jiang Changzhi , Chen Wentao , Cheng Qi , Liang Zihang
Published: September 2024

Lunar exploration is of significant importance in the development and utilization of in situ lunar resources, water ice exploration, and astronomical science. In recent years, ground-based radar (GBR) has gained increasing attention in the field of lunar exploration due to its flexibility, low cost, and penetrating capabilities. This paper reviews the scientific research on lunar exploration using GBR, outlining the basic principles of GBR and the progress made in lunar exploration studies. Our paper introduces the fundamental principles of lunar imaging using GBR and systematically reviews studies on lunar surface/subsurface detection, the dielectric properties inversion of the lunar regolith, and polar water ice detection using GBR. In particular, the paper summarizes the current development status of the Chinese GBR and forecasts future development trends in China. This review will enhance the understanding of lunar exploration results using GBR radar, systematically demonstrate the main applications and scientific achievements of GBR in lunar exploration, and provide a reference for GBR radar in future lunar exploration missions.