Subjects -> ENVIRONMENTAL STUDIES (Total: 913 journals)
    - ENVIRONMENTAL STUDIES (810 journals)
    - POLLUTION (31 journals)
    - WASTE MANAGEMENT (18 journals)

ENVIRONMENTAL STUDIES (810 journals)            First | 1 2 3 4 5     

Showing 601 - 378 of 378 Journals sorted alphabetically
Microplastics and Nanoplastics     Open Access   (Followers: 1)
Mine Water and the Environment     Hybrid Journal   (Followers: 6)
Mitigation and Adaptation Strategies for Global Change     Open Access   (Followers: 8)
Modeling Earth Systems and Environment     Hybrid Journal   (Followers: 1)
Monteverdia     Open Access   (Followers: 1)
Multequina     Open Access  
Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis     Hybrid Journal   (Followers: 5)
Mutation Research/Genetic Toxicology and Environmental Mutagenesis     Hybrid Journal   (Followers: 8)
Nano Select     Open Access   (Followers: 1)
Nanotechnology for Environmental Engineering     Hybrid Journal  
Nativa     Open Access  
Natur und Recht     Hybrid Journal   (Followers: 6)
Natural Areas Journal     Full-text available via subscription   (Followers: 10)
Natural Hazards     Hybrid Journal   (Followers: 60)
Natural Resources     Open Access  
Natural Resources & Engineering     Hybrid Journal  
Natural Resources and Environmental Issues     Open Access   (Followers: 2)
Nature and Culture     Full-text available via subscription   (Followers: 12)
Nature-Based Solutions     Open Access   (Followers: 2)
Nepal Journal of Environmental Science     Open Access   (Followers: 4)
NeuroToxicology     Hybrid Journal   (Followers: 1)
Neurotoxicology and Teratology     Hybrid Journal   (Followers: 3)
NEW SOLUTIONS: A Journal of Environmental and Occupational Health Policy     Full-text available via subscription   (Followers: 2)
New Zealand Journal of Environmental Law     Full-text available via subscription   (Followers: 5)
NJAS : Wageningen Journal of Life Sciences     Hybrid Journal  
Novos Cadernos NAEA     Open Access  
npj Urban Sustainability     Open Access  
Observatorio Medioambiental     Open Access  
Occupational and Environmental Medicine     Hybrid Journal   (Followers: 18)
Ochrona Srodowiska i Zasobów Naturalnych : Environmental Protection and Natural Resources     Open Access  
Oecologia     Hybrid Journal   (Followers: 55)
Oikos     Hybrid Journal   (Followers: 57)
One Earth     Hybrid Journal   (Followers: 4)
One Ecosystem     Open Access  
Open Environmental Research Journal     Open Access   (Followers: 1)
Open Journal of Ecology     Open Access   (Followers: 8)
Open Journal of Marine Science     Open Access   (Followers: 6)
Open Journal of Modern Hydrology     Open Access   (Followers: 6)
Our Nature     Open Access   (Followers: 2)
Pace Environmental Law Review     Open Access   (Followers: 5)
Packaging, Transport, Storage & Security of Radioactive Material     Hybrid Journal   (Followers: 3)
Palaeobiodiversity and Palaeoenvironments     Hybrid Journal   (Followers: 3)
Particle and Fibre Toxicology     Open Access   (Followers: 2)
Pastos y Forrajes     Open Access  
Peer Community Journal     Open Access   (Followers: 6)
Perspectives in Ecology and Conservation     Full-text available via subscription   (Followers: 7)
Pharmacology & Therapeutics     Hybrid Journal   (Followers: 3)
Pharmacology Biochemistry and Behavior     Hybrid Journal   (Followers: 2)
Physio-Géo     Open Access   (Followers: 1)
Pittsburgh Journal of Environmental and Public Health Law     Open Access   (Followers: 1)
Planet     Open Access   (Followers: 4)
Planeta Amazônia : Revista Internacional de Direito Ambiental e Políticas Públicas     Open Access  
Planning & Environmental Law: Issues and decisions that impact the built and natural environments     Hybrid Journal   (Followers: 8)
Plant Ecology & Diversity     Partially Free   (Followers: 13)
Plant Knowledge Journal     Open Access   (Followers: 2)
Plant, Cell & Environment     Hybrid Journal   (Followers: 9)
Plant-Environment Interactions     Open Access  
Plants, People, Planet     Open Access   (Followers: 2)
Polar Journal     Hybrid Journal   (Followers: 1)
Political Studies     Hybrid Journal   (Followers: 44)
Political Studies Review     Hybrid Journal   (Followers: 18)
Population and Environment     Hybrid Journal   (Followers: 6)
Population Ecology     Hybrid Journal   (Followers: 12)
Practice Periodical of Hazardous, Toxic, and Radioactive Waste Management     Full-text available via subscription  
Presence: Virtual and Augmented Reality     Hybrid Journal   (Followers: 3)
Proceedings of the Institution of Civil Engineers - Waste and Resource Management     Hybrid Journal   (Followers: 1)
Proceedings of the Institution of Mechanical Engineers Part M: Journal of Engineering for the Maritime Environment     Hybrid Journal   (Followers: 3)
Proceedings of the International Academy of Ecology and Environmental Sciences     Open Access   (Followers: 2)
Proceedings of the Vertebrate Pest Conference     Open Access  
Process Integration and Optimization for Sustainability     Hybrid Journal  
Process Safety and Environmental Protection     Hybrid Journal   (Followers: 4)
Producción + Limpia     Open Access  
Progress in Disaster Science     Open Access   (Followers: 3)
Progress in Industrial Ecology, An International Journal     Hybrid Journal   (Followers: 2)
Projets de Paysage     Open Access  
Psychological Assessment     Full-text available via subscription   (Followers: 13)
Public Money & Management     Hybrid Journal   (Followers: 7)
Quaternary     Open Access   (Followers: 1)
Recursos Rurais     Open Access  
REDER : Revista de Estudios Latinoamericanos sobre Reducción del Riesgo de Desastres     Open Access  
Regional Environmental Change     Open Access   (Followers: 3)
Regional Sustainability     Open Access  
Rekayasa     Open Access   (Followers: 1)
Remediation Journal     Hybrid Journal   (Followers: 8)
Remote Sensing Applications : Society and Environment     Full-text available via subscription   (Followers: 10)
Remote Sensing Letters     Hybrid Journal   (Followers: 48)
Rendiconti Lincei     Hybrid Journal  
Renewable Energy and Environmental Sustainability     Open Access   (Followers: 2)
Renewable Energy Focus     Full-text available via subscription   (Followers: 7)
Research & Reviews : Journal of Ecology     Full-text available via subscription   (Followers: 3)
Research and Practice for Persons with Severe Disabilities     Full-text available via subscription   (Followers: 4)
Research Journal of Environmental Sciences     Open Access   (Followers: 2)
Research Journal of Environmental Toxicology     Open Access   (Followers: 2)
Resources     Open Access  
Resources and Environment     Open Access  
Resources, Conservation & Recycling     Hybrid Journal   (Followers: 20)
Resources, Conservation & Recycling : X     Open Access   (Followers: 1)
Resources, Conservation & Recycling Advances     Open Access   (Followers: 1)
Rethinking Ecology     Open Access  
Reuse/Recycle Newsletter     Hybrid Journal  
Review of Agricultural, Food and Environmental Studies     Hybrid Journal  
Review of Environmental Economics and Policy     Hybrid Journal   (Followers: 13)
Revista AIDIS de Ingeniería y Ciencias Ambientales. Investigación, desarrollo y práctica     Open Access  
Revista Ambivalências     Open Access  
Revista Brasileira de Ciências Ambientais     Open Access   (Followers: 3)
Revista Brasileira de Meio Ambiente     Open Access  
Revista Chapingo. Serie Ciencias Forestales y del Ambiente     Open Access  
Revista Ciência, Tecnologia & Ambiente     Open Access  
Revista de Ciencias Ambientales     Open Access  
Revista de Direito Ambiental e Socioambientalismo     Open Access  
Revista de Direito e Sustentabilidade     Open Access  
Revista de Gestão Ambiental e Sustentabilidade - GeAS     Open Access  
Revista de Investigación en Agroproducción Sustentable     Open Access  
Revista de Salud Ambiental     Open Access  
Revista ECOVIDA     Open Access   (Followers: 3)
Revista Eletrônica de Gestão e Tecnologias Ambientais     Open Access  
Revista Geama     Open Access  
Revista Hábitat Sustenable     Open Access  
Revista Iberoamericana Ambiente & Sustentabilidad     Open Access  
Revista Kawsaypacha: Sociedad y Medio Ambiente     Open Access  
Revista Laborativa     Open Access  
Revista Meio Ambiente e Sustentabilidade     Open Access  
Revista Mundi Meio Ambiente e Agrárias     Open Access  
Revista Verde de Agroecologia e Desenvolvimento Sustentável     Open Access   (Followers: 3)
Rivista di Studi sulla Sostenibilità     Full-text available via subscription   (Followers: 2)
RUDN Journal of Ecology and Life Safety     Open Access  
Russian Journal of Ecology     Hybrid Journal   (Followers: 1)
Safety Science     Hybrid Journal   (Followers: 29)
San Francisco Estuary and Watershed Science     Open Access  
SAR and QSAR in Environmental Research     Hybrid Journal   (Followers: 1)
Saúde e Meio Ambiente : Revista Interdisciplinar     Open Access  
Scandinavian Journal of Work, Environment & Health     Partially Free   (Followers: 13)
Science of The Total Environment     Hybrid Journal   (Followers: 39)
Sciences Eaux & Territoires : la Revue du Cemagref     Open Access  
Smart Grid and Renewable Energy     Open Access   (Followers: 9)
Social and Environmental Accountability Journal     Hybrid Journal   (Followers: 3)
Sociedad y Ambiente     Open Access  
Soil and Sediment Contamination: An International Journal     Hybrid Journal   (Followers: 3)
Soil and Tillage Research     Hybrid Journal   (Followers: 10)
South Australian Geographical Journal     Open Access  
South Pacific Journal of Natural and Applied Sciences     Hybrid Journal  
Southern African Journal of Environmental Education     Open Access  
Southern Forests : a Journal of Forest Science     Hybrid Journal   (Followers: 4)
Sriwijaya Journal of Environment     Open Access  
Stochastic Environmental Research and Risk Assessment     Hybrid Journal   (Followers: 4)
Strategic Planning for Energy and the Environment     Hybrid Journal   (Followers: 4)
Studies in Conservation     Hybrid Journal   (Followers: 16)
Sustainability     Open Access   (Followers: 24)
Sustainability Agri Food and Environmental Research     Open Access   (Followers: 4)
Sustainability in Environment     Open Access   (Followers: 3)
Sustainable and Resilient Infrastructure     Hybrid Journal  
Sustainable Cities and Society     Hybrid Journal   (Followers: 21)
Sustainable Development     Hybrid Journal   (Followers: 14)
Sustainable Development Law & Policy     Open Access   (Followers: 12)
Sustainable Development Strategy and Practise     Open Access   (Followers: 4)
Sustainable Horizons     Full-text available via subscription   (Followers: 8)
Sustainable Technology and Entrepreneurship     Full-text available via subscription   (Followers: 5)
Sustinere : Journal of Environment and Sustainability     Open Access  
TECHNE - Journal of Technology for Architecture and Environment     Open Access   (Followers: 11)
Tecnogestión     Open Access  
Territorio della Ricerca su Insediamenti e Ambiente. Rivista internazionale di cultura urbanistica     Open Access  
The Historic Environment : Policy & Practice     Hybrid Journal   (Followers: 4)
The International Journal on Media Management     Hybrid Journal   (Followers: 7)
The Ring     Open Access  
Theoretical Ecology     Hybrid Journal   (Followers: 15)
Toxicologic Pathology     Hybrid Journal   (Followers: 18)
Toxicological & Environmental Chemistry     Hybrid Journal   (Followers: 2)
Toxicological Sciences     Hybrid Journal   (Followers: 11)
Toxicology     Hybrid Journal   (Followers: 18)
Toxicology and Applied Pharmacology     Hybrid Journal   (Followers: 24)
Toxicology and Industrial Health     Hybrid Journal   (Followers: 6)
Toxicology in Vitro     Hybrid Journal   (Followers: 11)
Toxicology Letters     Hybrid Journal   (Followers: 15)
Toxicology Mechanisms and Methods     Hybrid Journal   (Followers: 7)
Toxicon     Hybrid Journal   (Followers: 5)
Toxicon : X     Open Access  
Toxin Reviews     Hybrid Journal  
Transactions on Environment and Electrical Engineering     Open Access  
Transportation Research Part D: Transport and Environment     Hybrid Journal   (Followers: 27)
Transportation Safety and Environment     Open Access   (Followers: 1)
Transylvanian Review of Systematical and Ecological Research     Open Access  
Trends in Ecology & Evolution     Full-text available via subscription   (Followers: 270)
Trends in Environmental Analytical Chemistry     Hybrid Journal   (Followers: 3)
Trends in Pharmacological Sciences     Full-text available via subscription   (Followers: 20)
Tropicultura     Open Access  
Turkish Journal of Engineering and Environmental Sciences     Open Access   (Followers: 1)
UCLA Journal of Environmental Law and Policy     Open Access   (Followers: 2)
UD y la Geomática     Open Access  
Universidad y Ciencia     Open Access  
Universidad y Ciencia     Open Access  
UNM Environmental Journals     Open Access  
Urban Studies     Hybrid Journal   (Followers: 76)
Urban Transformations     Open Access   (Followers: 1)
Veredas do Direito : Direito Ambiental e Desenvolvimento Sustentável     Open Access  
VertigO - la revue électronique en sciences de l’environnement     Open Access   (Followers: 1)
Villanova Environmental Law Journal     Open Access   (Followers: 1)
Waste Management & Research     Hybrid Journal   (Followers: 6)
Water Conservation Science and Engineering     Hybrid Journal  
Water Environment Research     Full-text available via subscription   (Followers: 43)
Water International     Hybrid Journal   (Followers: 19)

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UD y la Geomática
Number of Followers: 0  

  This is an Open Access Journal Open Access journal
ISSN (Print) 2011-4990
Published by Universidad Distrital Francisco José de Caldas Homepage  [14 journals]
  • Single point mutations at the S129 residue of α-synuclein and their
           effect on structure, aggregation, and neurotoxicity

    • Authors: Esha Pandit, Lopamudra Das, Anoy Kumar Das, Sandip Dolui, Saumen Saha, Uttam Pal, Animesh Mondal, Joydeep Chowdhury, Subhas C. Biswas, Nakul C. Maiti
      Abstract: Parkinson’s disease is an age-related neurological disorder, and the pathology of the disease is linked to different types of aggregates of α-synuclein or alpha-synuclein (aS), which is an intrinsically disordered protein. The C-terminal domain (residues 96–140) of the protein is highly fluctuating and possesses random/disordered coil conformation. Thus, the region plays a significant role in the protein’s solubility and stability by an interaction with other parts of the protein. In the current investigation, we examined the structure and aggregation behavior of two artificial single point mutations at a C-terminal residue at position 129 that represent a serine residue in the wild-type human aS (wt aS). Circular Dichroism (CD) and Raman spectroscopy were performed to analyse the secondary structure of the mutated proteins and compare it to the wt aS. Thioflavin T assay and atomic force microscopy imaging helped in understanding the aggregation kinetics and type of aggregates formed. Finally, the cytotoxicity assay gave an idea about the toxicity of the aggregates formed at different stages of incubation due to mutations. Compared to wt aS, the mutants S129A and S129W imparted structural stability and showed enhanced propensity toward the α-helical secondary structure. CD analysis showed proclivity of the mutant proteins toward α-helical conformation. The enhancement of α-helical propensity lengthened the lag phase of fibril formation. The growth rate of β-sheet-rich fibrillation was also reduced. Cytotoxicity tests on SH-SY5Y neuronal cell lines established that the S129A and S129W mutants and their aggregates were potentially less toxic than wt aS. The average survivability rate was ∼40% for cells treated with oligomers (presumably formed after 24 h of incubation of the freshly prepared monomeric protein solution) produced from wt aS and ∼80% for cells treated with oligomers obtained from mutant proteins. The relative structural stability with α-helical propensity of the mutants could be a plausible reason for their slow rate of oligomerization and fibrillation, and this was also the possible reason for reduced toxicity to neuronal cells.
      PubDate: 2023-05-26T00:00:00Z
  • OpenCL-accelerated first-principles calculations of all-electron quantum
           perturbations on HPC resources

    • Authors: Zhikun Wu, Honghui Shang, Yangjun Wu, Zhongcheng Zhang, Ying Liu, Yuyang Zhang, Yucheng Ouyang, Huimin Cui, Xiaobing Feng
      Abstract: We have proposed, for the first time, an OpenCL implementation for the all-electron density-functional perturbation theory (DFPT) calculations in FHI-aims, which can effectively compute all its time-consuming simulation stages, i.e., the real-space integration of the response density, the Poisson solver for the calculation of the electrostatic potential, and the response Hamiltonian matrix, by utilizing various heterogeneous accelerators. Furthermore, to fully exploit the massively parallel computing capabilities, we have performed a series of general-purpose graphics processing unit (GPGPU)-targeted optimizations that significantly improved the execution efficiency by reducing register requirements, branch divergence, and memory transactions. Evaluations on the Sugon supercomputer have shown that notable speedups can be achieved across various materials.
      PubDate: 2023-05-26T00:00:00Z
  • Practical synthesis of 1,3-benzoazaphosphole analogues

    • Authors: Yuki Yamamoto, Soichiro Mita, Yuki Sato, Kentaro Yano, Akiya Ogawa
      Abstract: Despite the promising pharmacological activity and material properties of five-membered heterocyclic compounds containing phosphorus and nitrogen, synthetic examples of them have been rather limited due to the instability of phosphorus toward air and water. In this study, 1,3-benzoazaphosphol analogues were selected as target molecules, and various synthetic routes were examined to establish a fundamental technology for the introduction of phosphorus groups into aromatic rings and formation of five-membered rings containing phosphorus and nitrogen by cyclization. As a result, we found that 2-aminophenyl(phenyl)phosphine is an extremely promising synthetic intermediate with high stability and easy handling. Furthermore, 2-methyl-3-phenyl-2,3-dihydro-1H-benzo[d][1,3]azaphosphole and 3-phenyl-2,3-dihydro-1H-benzo[d][1,3]azaphosphole-2-thione as synthetically useful 1,3-benzoazaphosphol analogues were successfully synthesized by using 2-aminophenyl(phenyl)phosphine as a key intermediate.
      PubDate: 2023-05-25T00:00:00Z
  • Reducing the matrix effect in mass spectral imaging of biofilms using
           flow-cell culture

    • Authors: Yuchen Zhang, Andrew Plymale, Jiyoung Son, Qiaoyun Huang, Wenli Chen, Xiao-Ying Yu
      Abstract: The interactions between soil microorganisms and soil minerals play a crucial role in the formation and evolution of minerals and the stability of soil aggregates. Due to the heterogeneity and diversity of the soil environment, the under-standing of the functions of bacterial biofilms in soil minerals at the microscale is limited. A soil mineral-bacterial biofilm system was used as a model in this study, and it was analyzed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) to acquire molecular level information. Static culture in multi-wells and dynamic flow-cell culture in microfluidics of biofilms were investigated. Our results show that more characteristic molecules of biofilms can be observed in SIMS spectra of the flow-cell culture. In contrast, biofilm signature peaks are buried under the mineral components in SIMS spectra in the static culture case. Spectral overlay was used in peak selection prior to performing Principal component analysis (PCA). Comparisons of the PCA results between the static and flow-cell culture show more pronounced molecular features and higher loadings of organic peaks of the dynamic cultured specimens. For example, fatty acids secreted from bacterial biofilm extracellular polymeric substance are likely to be responsible for biofilm dispersal due to mineral treatment up to 48 h. Such findings suggest that the use of microfluidic cells to dynamically culture biofilms be a more suitable method for reducing the matrix effect arisen from the growth medium and minerals as a perturbation fac-tor for improved spectral and multivariate analysis of complex mass spectral data in ToF-SIMS. These results show that the interaction mechanism between biofilms and soil minerals at the molecular level can be better studied using the flow-cell culture and advanced mass spectral imaging techniques like ToF-SIMS.
      PubDate: 2023-05-25T00:00:00Z
  • Advances in CO2 utilization employing anisotropic nanomaterials as
           catalysts: a review

    • Authors: Vishal Kandathil, Narayanapillai Manoj
      Abstract: Anisotropic nanomaterials are materials with structures and properties that vary depending on the direction in which they are measured. Unlike isotropic materials, which exhibit uniform physical properties in all directions, anisotropic materials have different mechanical, electrical, thermal, and optical properties in different directions. Examples of anisotropic nanomaterials include nanocubes, nanowires, nanorods, nanoprisms, nanostars, and so on. These materials have unique properties that make them useful in a variety of applications, such as electronics, energy storage, catalysis, and biomedical engineering. One of the key advantages of anisotropic nanomaterials is their high aspect ratio, which refers to the ratio of their length to their width, which can enhance their mechanical and electrical properties, making them suitable for use in nanocomposites and other nanoscale applications. However, the anisotropic nature of these materials also presents challenges in their synthesis and processing. For example, it can be difficult to align the nanostructures in a specific direction to impart modulation of a specific property. Despite these challenges, research into anisotropic nanomaterials continues to grow, and scientists are working to develop new synthesis methods and processing techniques to unlock their full potential. Utilization of carbon dioxide (CO2) as a renewable and sustainable source of carbon has been a topic of increasing interest due to its impact on reducing the level of greenhouse gas emissions. Anisotropic nanomaterials have been used to improve the efficiency of CO2 conversion into useful chemicals and fuels using a variety of processes such as photocatalysis, electrocatalysis, and thermocatalysis. More study is required to improve the usage of anisotropic nanomaterials for CO2 consumption and to scale up these technologies for industrial use. The unique properties of anisotropic nanomaterials, such as their high surface area, tunable morphology, and high activity, make them promising catalysts for CO2 utilization. This review article discusses briefly about various approaches towards the synthesis of anisotropic nanomaterials and their applications in CO2 utilization. The article also highlights the challenges and opportunities in this field and the future direction of research.
      PubDate: 2023-05-25T00:00:00Z
  • Tight hydrophobic core and flexible helices yield MscL with a high tension
           gating threshold and a membrane area mechanical strain buffer

    • Authors: Arjun Sharma, Andriy Anishkin, Sergei Sukharev, Juan M. Vanegas
      Abstract: The mechanosensitive (MS) channel of large conductance, MscL, is the high-tension threshold osmolyte release valve that limits turgor pressure in bacterial cells in the event of drastic hypoosmotic shock. Despite MscL from Mycobacterium tuberculosis (TbMscL) being the first structurally characterized MS channel, its protective mechanism of activation at nearly-lytic tensions has not been fully understood. Here, we describe atomistic simulations of expansion and opening of wild-type (WT) TbMscL in comparison with five of its gain-of-function (GOF) mutants. We show that under far-field membrane tension applied to the edge of the periodic simulation cell, WT TbMscL expands into a funnel-like structure with trans-membrane helices bent by nearly 70°, but does not break its ‘hydrophobic seal’ within extended 20 μs simulations. GOF mutants carrying hydrophilic substitutions in the hydrophobic gate of increasing severity (A20N, V21A, V21N, V21T and V21D) also quickly transition into funnel-shaped conformations but subsequently fully open within 1–8 μs. This shows that solvation of the de-wetted (vapor-locked) constriction is the rate-limiting step in the gating of TbMscL preceded by area-buffering silent expansion. Pre-solvated gates in these GOF mutants reduce this transition barrier according to hydrophilicity and the most severe V21D eliminates it. We predict that the asymmetric shape-change of the periplasmic side of the channel during the silent expansion provides strain-buffering to the outer leaflet thus re-distributing the tension to the inner leaflet, where the gate resides.
      PubDate: 2023-05-24T00:00:00Z
  • Virtual screening–based discovery of AI-2 quorum sensing inhibitors that
           interact with an allosteric hydrophobic site of LsrK and their functional

    • Authors: Qianqian Shi, Huiqi Wen, Yijie Xu, Xu Zhao, Jing Zhang, Ye Li, Qingbin Meng, Fang Yu, Junhai Xiao, Xingzhou Li
      Abstract: Introduction: Quorum sensing (QS) is a bacterial intracellular and intercellular communication system that regulates virulence factor production, biofilm formation, and antibiotic sensitivity. Quorum-sensing inhibitors (QSIs) are a novel class of antibiotics that can effectively combat antibiotic resistance. Autoinducer-2 (AI-2) is a universal signaling molecule that mediates inter- and intraspecies QS systems among different bacteria. Furthermore, LsrK plays an important role in regulating the activity and stability of the intracellular AI-2 signaling pathway. Thus, LsrK is considered an important target for the development of QSIs.Methods: We designed a workflow integrating molecular dynamic (MD) simulations, virtual screening, LsrK inhibition assays, cell-based AI-2-mediated QS interference assays, and surface plasmon resonance (SPR)-based protein affinity assays to screen for potential LsrK kinase inhibitors.Results: MD simulation results of the LsrK/ATP complex revealed hydrogen bonds and salt bridge formation among four key residues, namely, Lys 431, Tyr 341, Arg 319, and Arg 322, which are critical for the binding of ATP to LsrK. Furthermore, MD simulation results indicated that the ATP-binding site has an allosteric pocket that can become larger and be occupied by small molecule compounds. Based on these MD simulation results, a constraint of forming at least one hydrogen bond with Arg 319, Arg 322, Lys 431, or Tyr 341 residues was introduced when performing virtual screening using Glide’s virtual screening workflow (VSW). In the meantime, compounds with hydrophobic group likely to interact with the allosteric hydrophobic pocket are preferred when performing visual inspection. Seventy-four compounds were selected for the wet laboratory assays based on virtual screening and the absorption, distribution, metabolism, and excretion (ADME) properties of these compounds. LsrK inhibition assays revealed 12 compounds inhibiting LsrK by more than 60% at a 200 μM concentration; four of these (Y205-6768, D135-0149, 3284–1358, and N025-0038) had IC50 values below 50 μM and were confirmed as ATP-competitive inhibitors. Six of these 12 LsrK inhibitors exhibited high AI-2 QS inhibition, of which, Y205-6768 had the highest activity with IC50 = 11.28 ± 0.70 μM. The SPR assay verified that compounds Y205-6768 and N025-0038 specifically bound to LsrK. MD simulation analysis of the docking complexes of the four active compounds with LsrK further confirmed the importance of forming hydrogen bonds and salt bridges with key basic amino acid residues including Lys 431, Tyr 341, Arg 319, and Arg 322 and filling the allosteric hydrophobic pocket next to the purine-binding site of LsrK.Discussion: Our study clarified for the first time that there is an allosteric site near the ATP-binding site of Lsrk and that it enriches the structure–activity relationship information of Lsrk inhibitors. The four identified compounds showed novel structures, low molecular weights, high activities, and novel LsrK binding modes, rendering them suitable for further optimization for effective AI-2 QSIs. Our work provides a valuable reference for the discovery of QSIs that do not inhibit bacterial growth, thereby avoiding the emergence of drug resistance.
      PubDate: 2023-05-24T00:00:00Z
  • Glycyrrhizic acid modified Poria cocos polyscaccharide carbon dots
           dissolving microneedles for methotrexate delivery to treat rheumatoid

    • Authors: Qi Chen, Chengyuan Wu, Siwei Wang, Qiang Wang, Peiyun Wu, Lei Wang, Peiyu Yan, Ying Xie
      Abstract: Introduction: Rheumatoid arthritis is an autoimmune disease characterized by chronic joint inflammation. Methotrexate is one of the most effective drugs for rheumatoid arthritis, but the adverse reactions caused by oral methotrexate greatly limit its clinical application. Transdermal drug delivery system is an ideal alternative to oral methotrexate by absorbing drugs into the human body through the skin. However, methotrexate in the existing methotrexate microneedles is mostly used alone, and there are few reports of combined use with other anti-inflammatory drugs.Methods: In this study, glycyrrhizic acid was first modified onto carbon dots, and then methotrexate was loaded to construct a nano-drug delivery system with fluorescence and dual anti-inflammatory effects. Then hyaluronic acid was combined with nano-drug delivery system to prepare biodegradable soluble microneedles for transdermal drug delivery of rheumatoid arthritis. The prepared nano-drug delivery system was characterized by transmission electron microscopy, fluorescence spectroscopy, laser nanoparticle size analyzer, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, differential scanning calorimeter and nuclear magnetic resonance spectrometer. The results showed that glycyrrhizic acid and methotrexate were successfully loaded on carbon dots, and the drug loading of methotrexate was 49.09%. The inflammatory cell model was constructed by lipopolysaccharide-induced RAW264.7 cells. In vitro cell experiments were used to explore the inhibitory effect of the constructed nano-drug delivery system on the secretion of inflammatory factors by macrophages and the cell imaging ability. The drug loading, skin penetration ability, in vitro transdermal delivery and in vivo dissolution characteristics of the prepared microneedles were investigated. The rat model of rheumatoid arthritis was induced by Freund's complete adjuvant.Results: The results of in vivo animal experiments showed that the soluble microneedles of the nano drug delivery system designed and prepared in this study could significantly inhibit the secretion of pro-inflammatory cytokines and had a significant therapeutic effect on arthritis.Discussion: The prepared glycyrrhizic acid-carbon dots-methotrexate soluble microneedle provides a feasible solution for the treatment of Rheumatoid arthritis.
      PubDate: 2023-05-23T00:00:00Z
  • Synthesis, anti-aging and mechanism of magnolol derivatives

    • Authors: Xinxin Pang, Li Mao, Danyang Ye, Wenqi Wang, Hongliu Yang, Xiaoxiao Fan, Yuping Yang, Zhijun Su, Tao Ma, Mingqian Sun, Yonggang Liu
      Abstract: Magnolol (M), a hydroquinone containing an allyl side chain, is one of the major active components of Houpoea officinalis for antioxidation and anti-aging. To enhance the antioxidant activity of magnolol, the different sites of magnolol were structurally modified in this experiment, and a total of 12 magnolol derivatives were obtained. Based on the preliminary exploration of the anti-aging effect of magnolol derivatives in a Caenorhabditis elegans (C. elegans) model. Our results indicate that the active groups of magnolol exerting anti-aging effects were allyl groups and hydroxyl on the phenyl. Meanwhile, the anti-aging effect of the novel magnolol derivative M27 was found to be significantly superior to that of magnolol. To investigate the effect of M27 on senescence and the potential mechanism of action, we investigated the effect of M27 on senescence in C. elegans. In this study, we investigated the effect of M27 on C. elegans physiology by examining body length, body curvature and pharyngeal pumping frequency. The effect of M27 on stress resistance in C. elegans was explored by acute stress experiments. The mechanism of M27 anti-aging was investigated by measuring ROS content, DAF-16 nuclear translocation, sod-3 expression, and lifespan of transgenic nematodes. Our results indicate that M27 prolonged the lifespan of C. elegans. Meanwhile, M27 improved the healthy lifespan of C. elegans by improving pharyngeal pumping ability and reducing lipofuscin accumulation in C. elegans. M27 increased resistance to high temperature and oxidative stress in C. elegans by reducing ROS. M27 induced DAF-16 translocation from cytoplasm to nucleus in transgenic TJ356 nematodes and upregulated the expression of sod-3 (a gene downstream of DAF-16) in CF1553 nematodes. Furthermore, M27 did not extend the lifespan of daf-16, age-1, daf-2, and hsp-16.2 mutants. This work suggests that M27 may ameliorate aging and extend lifespan in C. elegans through the IIS pathway.
      PubDate: 2023-05-23T00:00:00Z
  • Cu2In alloy-embedded ZrO2 catalysts for efficient CO2 hydrogenation to
           methanol: promotion of plasma modification

    • Authors: Fujiao Song, Jia Gao, Bairen Yang, Yan Cao, Huanhuan Liu, Qi Xu
      Abstract: Cu1In2Zr4-O-C catalysts with Cu2In alloy structure were prepared by using the sol–gel method. Cu1In2Zr4-O-PC and Cu1In2Zr4-O-CP catalysts were obtained from plasma-modified Cu1In2Zr4-O-C before and after calcination, respectively. Under the conditions of reaction temperature 270°C, reaction pressure 2 MPa, CO2/H2 = 1/3, and GHSV = 12,000 mL/(g h), Cu1In2Zr4-O-PC catalyst has a high CO2 conversion of 13.3%, methanol selectivity of 74.3%, and CH3OH space-time yield of 3.26 mmol/gcat/h. The characterization results of X-ray diffraction (XRD), scanning electron microscopy (SEM), and temperature-programmed reduction chemisorption (H2-TPR) showed that the plasma-modified catalyst had a low crystallinity, small particle size, good dispersion, and excellent reduction performance, leading to a better activity and selectivity. Through plasma modification, the strong interaction between Cu and In in Cu1In2Zr4-O-CP catalyst, the shift of Cu 2p orbital binding energy to a lower position, and the decrease in reduction temperature all indicate that the reduction ability of Cu1In2Zr4-O-CP catalyst is enhanced, and the CO2 hydrogenation activity is improved.
      PubDate: 2023-05-23T00:00:00Z
  • Spiropyran-based chromic hydrogels for CO2 absorption and detection

    • Authors: Arnau Marco, Gonzalo Guirado, Rosa María Sebastián, Jordi Hernando
      Abstract: By enabling rapid, cost-effective, user-friendly and in situ detection of carbon dioxide, colorimetric CO2 sensors are of relevance for a variety of fields. However, it still remains a challenge the development of optical chemosensors for CO2 that combine high sensitivity, selectivity and reusability with facile integration into solid materials. Herein we pursued this goal by preparing hydrogels functionalized with spiropyrans, a well-known class of molecular switches that undergo different color changes upon application of light and acid stimuli. By varying the nature of the substituents of the spiropyran core, different acidochromic responses are obtained in aqueous media that allow discriminating CO2 from other acid gases (e.g., HCl). Interestingly, this behavior can be transferred to functional solid materials by synthesizing polymerizable spiropyran derivatives, which are used to prepare hydrogels. These materials preserve the acidochromic properties of the incorporated spiropyrans, thus leading to selective, reversible and quantifiable color changes upon exposure to different CO2 amounts. In addition, CO2 desorption and, therefore, recovery of the initial state of the chemosensor is favored by irradiation with visible light. This makes spiropyran-based chromic hydrogels promising systems for the colorimetric monitorization of carbon dioxide in a diversity of applications.
      PubDate: 2023-05-23T00:00:00Z
  • Highly thermostable mixed lanthanide organic frameworks with high quantum
           yield for warm white light-emitting diodes

    • Authors: Yanqiong Shen, Xianyong Pan, Yaru Zhao, Qingchuan Gu, Qipeng Li
      Abstract: A mixed lanthanide organic framework was prepared via hydrothermal methods using m-phthalic acid (m-H2BDC), 1,10-phenanthroline (1,10-Phen), and Ln3+ ions, formulated as [HNMe2][Eu0.095Tb1.905(m-BDC)3(phen)2] (ZTU-6). The structure and stability of ZTU-6 were characterised by X-ray diffraction (XRD) and thermogravimetric analysis (TGA), which revealed a three-dimensional pcu topology with high thermal stability. Fluorescence tests showed that ZTU-6 emitted orange light with a high quantum yield of 79.15%, and it can be effectively encapsulated in a light-emitting diode (LED) device emitting orange light. In addition, ZTU-6 was found to be compatible with BaMgAl10O17:Eu2+ (BAM) blue powder and [(Sr,Ba)2SiO4:Eu2+] silicate yellow and green powder to create a warm white LED with a high colour rendering index (CRI) of 93.4, a correlated colour temperature (CCT) of 3908 K, and CIE coordinates of (0.38, 036).
      PubDate: 2023-05-22T00:00:00Z
  • Identifying promising GSK3β inhibitors for cancer management: a
           computational pipeline combining virtual screening and molecular dynamics

    • Authors: Libo Hua, Farah Anjum, Alaa Shafie, Amal Adnan Ashour, Abdulraheem Ali Almalki, Ali Abdullah Alqarni, Hamsa Jameel Banjer, Sarah Abdullah Almaghrabi, Shan He, Nenggui Xu
      Abstract: Glycogen synthase kinase-3 (GSK3β), a serine/threonine protein kinase, has been discovered as a novel target for anticancer drugs. Although GSK3β is involved in multiple pathways linked to the etiology of various cancers, no specific GSK3β inhibitor has been authorized for cancer therapy. Most of its inhibitors have toxicity effects therefore, there is a need to develop safe and more potent inhibitors. In this study, a library of 4,222 anti-cancer compounds underwent rigorous computational screening to identify potential candidates for targeting the binding pocket of GSK3β. The screening process involved various stages, including docking-based virtual screening, physicochemical and ADMET analysis, and molecular dynamics simulations. Ultimately, two hit compounds, BMS-754807 and GSK429286A, were identified as having high binding affinities to GSK3β. BMS-754807 and GSK429286A exhibited binding affinities of −11.9, and −9.8 kcal/mol, respectively, which were greater than that of the positive control (−7.6 kcal/mol). Further, molecular dynamics simulations for 100 ns were employed to optimize the interaction between the compounds and GSK3β, and the simulations demonstrated that the interaction was stable and consistent throughout the study. These hits were also anticipated to have good drug-like properties. Finally, this study suggests that BMS-754807 and GSK429286A may undergo experimental validation to evaluate their potential as cancer treatments in clinical settings.
      PubDate: 2023-05-22T00:00:00Z
  • Versatile gold-silver-PB nanojujubes for multi-modal detection and
           photo-responsive elimination against bacteria

    • Authors: Xining Zhang, Youlin Xiong, Shuangfei Cai, Ting Wu, Zheng Lian, Chen Wang, Wei Zhang, Rong Yang
      Abstract: Bacterial infections have become a serious threat to global public health. Nanomaterials have shown promise in the development of bacterial biosensing and antibiotic-free antibacterial modalities, but single-component materials are often less functional and difficult to achieve dual bacterial detection and killing. Herein, we report a novel strategy based on the effective integration of multi-modal bacterial detection and elimination, by constructing the versatile gold-silver-Prussian blue nanojujubes (GSP NJs) via a facile template etching method. Such incorporation of multi-components involves the utilization of cores of gold nanobipyramids with strong surface-enhanced Raman scattering (SERS) activity, the shells of Prussian blue as both an efficient bio-silent SERS label and an active peroxidase-mimic, and functionalization of polyvinyl pyrrolidone and vancomycin, respectively endowing them with good colloidal dispersibility and specificity against S. aureus. The GSP NJs show operational convenience in the SERS detection and excellent peroxidase-like activity for the sensitive colorimetric detection. Meanwhile, they exhibit robust near-infrared photothermal/photodynamic effects, and the photo-promoted Ag+ ions release, ultimately achieving a high antibacterial efficiency over 99.9% in 5 min. The NJs can also effectively eliminate complex biofilms. The work provides new insights into the design of multifunctional core-shell nanostructures for the integrated bacterial detection and therapy.
      PubDate: 2023-05-22T00:00:00Z
  • Sensitivity enhancement of a Cu (II) metal organic framework-acetylene
           black-based electrochemical sensor for ultrasensitive detection of
           imatinib in clinical samples

    • Authors: Xuanming Xu, Shun Li, Xingwei Luan, Chao Xuan, Peng Zhao, Tingting Zhou, Qingwu Tian, Deng Pan
      Abstract: Imatinib (IMB), an anticancer drug, is extensively used for chemotherapy to improve the quality of life of cancer patients. The aim of therapeutic drug monitoring (TDM) is to guide and evaluate the medicinal therapy, and then optimize the clinical effect of individual dosing regimens. In this work, a highly sensitive and selective electrochemical sensor based on glassy carbon electrode (GCE) modified with acetylene black (AB) and a Cu (II) metal organic framework (CuMOF) was developed to measure the concentration of IMB. CuMOF with preferable adsorbability and AB with excellent electrical conductivity functioned cooperatively to enhance the analytical determination of IMB. The modified electrodes were characterized using X-rays diffraction (XRD), X-ray photoelectron spectroscopy (XPS), fourier transform infrared (FT-IR), ultraviolet and visible spectrophotometry (UV-vis), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), energy dispersive X‐ray spectroscopy (EDS), brunauer‒emmett‒teller (BET) and barrett‒joyner‒halenda (BJH) techniques. Analytical parameters such as the ratio of CuMOF to AB, dropping volumes, pH, scanning rate and accumulation time were investigated through cyclic voltammetry (CV). Under optimal conditions, the sensor exhibited an excellent electrocatalytic response for IMB detection, and two linear detection ranges were obatined of 2.5 nM-1.0 μM and 1.0–6.0 μM with a detection limit (DL) of 1.7 nM (S/N = 3). Finally, the good electroanalytical ability of CuMOF-AB/GCE sensor facilitated the successful determination of IMB in human serum samples. Due to its acceptable selectivity, repeatability and long-term stability, this sensor shows promising application prospects in the detection of IMB in clinical samples.
      PubDate: 2023-05-22T00:00:00Z
  • Editorial: Construction and biological applications of programmable DNA
           dynamic reactions

    • Authors: Shiquan Li, Ren Cai, Ding Ding, Edison Huixiang Ang, Yifan Lyu
      PubDate: 2023-05-22T00:00:00Z
  • Preparation of CsPb(Cl/Br)3/TiO2:Eu3+ composites for white light emitting

    • Authors: Chen Zhang, Minqiang Wang, Jindou Shi, Junnan Wang, Zheyuan Da, Yun Zhou, Youlong Xu, Nikolai V. Gaponenko, Arshad Saleem Bhatti
      Abstract: The inherent single narrow emission peak and fast anion exchange process of cesium lead halide perovskite CsPbX3 (X = Cl, Br, I) nanocrystals severely limited its application in white light-emitting diodes. Previous studies have shown that composite structures can passivate surface defects of NCs and improve the stability of perovskite materials, but complex post-treatment processes commonly lead to dissolution of NCs. In this study, CsPb(Cl/Br)3 NCs was in-situ grown in TiO2 hollow shells doped with Eu3+ ions by a modified thermal injection method to prepare CsPb(Cl/Br)3/TiO2:Eu3+ composites with direct excitation of white light without additional treatment. Among them, the well-crystalline TiO2 shells acted as both a substrate for the dopant, avoiding the direct doping of Eu3+ into the interior of NCs to affect the crystal structure of the perovskite materials, and also as a protection layer to isolate the contact between PL quenching molecules and NCs, which significantly improves the stability. Further, the WLED prepared using the composites had bright white light emission, luminous efficiency of 87.39 lm/W, and long-time operating stability, which provided new options for the development of perovskite devices.
      PubDate: 2023-05-19T00:00:00Z
  • Raman and fourier transform infrared spectroscopy techniques for detection
           of coronavirus (COVID-19): a mini review

    • Authors: Qiuqi Zhang, Lei Zhao, Guoliang Qi, Xiaoru Zhang, Cheng Tian
      Abstract: Coronavirus pandemic has been a huge jeopardy to human health in various systems since it outbroke, early detection and prevention of further escalation has become a priority. The current popular approach is to collect samples using the nasopharyngeal swab method and then test for RNA using the real-time polymerase chain reaction, which suffers from false-positive results and a longer diagnostic time scale. Alternatively, various optical techniques, namely, optical sensing, spectroscopy, and imaging shows a great promise in virus detection. In this mini review, we briefly summarize the development progress of vibrational spectroscopy techniques and its applications in the detection of SARS-CoV family. Vibrational spectroscopy techniques such as Raman spectroscopy and infrared spectroscopy received increasing appreciation in bio-analysis for their speediness, accuracy and cost-effectiveness in detection of SARS-CoV. Further, an account of emerging photonics technologies of SARS-CoV-2 detection and future possibilities is also explained. The progress in the field of vibrational spectroscopy techniques for virus detection unambiguously show a great promise in the development of rapid photonics-based devices for COVID-19 detection.
      PubDate: 2023-05-18T00:00:00Z
  • Effective recovery of Ti as anatase nanoparticles from waste red mud via a
           coupled leaching and boiling route

    • Authors: Zhan Qu, Jiancong Liu, Ting Su, Suiyi Zhu, Junzhen Liu, Yusen Chen
      Abstract: Red mud (RM) a solid waste generated by the bauxite smelting industry, is a rich source of metal resources, especially Ti, and its recycling can bring significant environmental and economic benefits. In this study, precious metal Ti was efficiently recovered from red mud using a coupled acid leaching and boiling route for the effective separation of low-value metals. The red mud which contained mainly 10.69% Si, 12.1% Al, 15.2% Ca, 10.99% Fe, and 4.37% Ti, was recovered in five steps. First, a nitric acid solution was used to leach the metals in multiple stages, resulting in an acidic leach solution with high concentrations of Fe, Al, Ti, and Ca ions 2.7 g/L, 4.7 g/L, 5.43 g/L, and 1.8 g/L, respectively. Then, a small amount of sucrose was added as a catalyst to recover Ti from the leach solution under hydrothermal conditions, resulting in the targeted recovery of 98.6% of Ti in the form of high-purity anatase while Fe, Al, and Ca remained in the solution. Next, the Fe in solution was separated as hematite products at a temperature of 110°C and a reaction time of 4 h. Similarly, the Al in the solution was separated and precipitated as boehmite by heating it at 260°C for a reaction time of 20 h. Finally, the remaining Ca in solution was recovered by simple pH regulation. Economic accounting assessment showed that the method yields $101.06 for 1 t of red mud treated, excluding labor costs. This study provides a novel approach to recover precious metals from metal wastes through the whole process resource recovery of solid waste red mud.
      PubDate: 2023-05-18T00:00:00Z
  • Perspective on pH adjustment in hydrometallurgical recycling of valuable
           metals from waste

    • Authors: Zhu Suiyi, Wang Jian, Huang Yuhong, Wang Ying, Zhang Yuxin, Qin Jiabao, Liu Jiancong, Yao Jinlu, Ji Meichun
      Abstract: pH adjustment was considered a simple step in the hydrometallurgy process, but its complicated operation was ignored in the past. In some industrial applications, the leachate pH was slowly adjusted by a diluted alkaline solution, with the defects of doubling the leachate volume and causing droplet hydrolysis/coagulation. Up to date, promising routes have been developed for rapid pH adjustment, especially in sealed high-temperature/pressure vessels. New routes emerged in some redox/decomposition reactions of nitrate/urea and organics. Such reactions did not start and/or were slow at room temperature but started spontaneously at high temperatures to generate/consume free H+. This induced pH adjustment in a rapid and homogeneous way.
      PubDate: 2023-05-18T00:00:00Z
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