Supramolecular structures with specific applications are a pillar in several areas of science. Thus, from a contemporary point of view, there are several reasons to feel inclined to cover a systematic, or historic critique of the supramolecular concept itself. First, the idea of a supramolecular material seems more secure now than it was decades ago. Second, updating the interacting of MOFs and supramolecular chemical and conversely, supramolecularity to assemble MOFs and to make ef-ficient complex systems in multiple cutting-edge applications. Third, we should here simply confine to a consideration of how workers in this field have tried to correlate the notion of the idea of supramolecular systems linking self-assembly considerations. Thereby, this is clearly an ad-vantage that optimized geometries obtained on the conductive bases described that undoubtedly, some of these systems have substantial applications and create a significant practical interest. The outline of this review encompasses a general introduction to MOFs and supramolecularity, the key unit of the study presented here, followed by a survey of recent advances in supramolecular chemistry in confined space, relationships of MOFs with the supramolecular chemistry, electro-chemical synthesis of MOFs, and switchable MOFs. Finally, some discussion on possible future perspectives of this field is given.

Metal-Organic Frameworks (MOFs) are a subclass of porous materials that have unique properties such as varieties of structures from different metals and organic linkers, tunable porosity from a structure or framework design, etc. Moreover, modification/functionalization of the material structure could optimize the material properties and demonstrate high potential for a selected application. MOF materials exhibit exceptional properties and make these materials widely applicable including in energy storage and heat transformation applications. This review aims to give a broad overview of MOFs and their development as adsorbent materials having the potential for heat transformation applications. We summarize current investigations, developments, and possibilities of metal-organic frameworks (MOFs) especially the tuning of the porosity and hydrophobic/hydrophilic design required for this specific application. These materials applied as adsorbent are promising in the thermal driven adsorption for heat transformation using water as working fluid and related application.

Modern lifestyle has increased our utilization of pollutants such as heavy metals, aromatic compounds, and contaminants of emerging concern including pharmaceutical and personal products and other materials that may have an important environmental impact. Especially, the ultimate results of intense use of highly stable materials, such as heavy metals and chemical restudies are that they turn into waste materials which, when discharged, accumulate in the environment water bodies. In this context, the present review presents application of metal-organic frameworks (MOFs) in electrochemiluminescent (ECL) sensing for water pollutant detection. MOF composites applied as innovative luminophore or luminophore carriers, materials for electrode modification and enhancement of co-reaction in ECL sensors have enabled sensitive monitoring of some most common contaminants of emerging concern such as heavy metals, volatile organic compounds, pharmaceuticals, industrial chemicals and cyanotoxins. Moreover, we provide future trends and prospects associated with ECL MOF-composites for environmental sensing.

Metal organic frameworks (MOFs) are used in catalysis due to their high specific surface area and porous structure. The dispersed active sites and limited reaction space render MOFs have the potential for highly selective electrocatalytic CO2 reduction reaction (ECO2RR). Meanwhile, formic acid (HCOOH) is attracting attention as a liquid product with high economic benefits. This review summarizes the MOFs and their derivatives applied for ECO2RR into HCOOH products. The preparation methods of MOFs as electrocatalysts and their unique advantages are discussed. A series of MOFs, and MOFs derivatives obtained by electrochemical reduction or carbonization processes are highlighted, including metal nanomaterials, carbon-based nanocomposites, single-atom catalysts, and bimetallic nanocomposites. Depending on the MOFs building units (metal ions and organic linkers) and the reaction conditions of derivatization, MOFs-based catalysts exhibit rich diversity and controllable modulation of catalytic performance. Finally, the challenges encountered at this stage and the future research directions of MOFs-based catalysts are proposed.

This review analyzes the preparation and characterization of metal organic frameworks (MOFs) and their application as photocatalysts for water purification. The study begins by highlighting the problem of water scarcity and the different solutions for purification, including photocatalysis with semiconductors such as MOFs. It also describes the different methodologies that can be used for the synthesis of MOFs, paying attention to the purification and activation steps. The characterization of MOFs and the different approaches that can be followed to learn on the photocatalytic processes are also detailed. Finally, the work reviews literature focused on the degradation of contaminants from water using MOF-based photocatalysts under light irradiation.

Developing low-cost and stable materials for converting solar energy into electricity is vital in meeting the world's energy demand. Metal-organic frameworks (MOFs) have gained attention for solar cells due to their natural porous architectures and tunable chemical structures. This review commences with an exploration of the synthetic methods of MOFs. Moreover, we discuss the various roles of MOFs, including photoanodes and counter electrodes in dye-sensitized solar cells and interfacial layers and charge carriers in perovskite solar cells. Ultimately, burdensome tasks and possible directions for advancing MOFs-based nanomaterials are provided for solar cells.

Metal-organic frameworks (MOFs), composed of metal nodes and inorganic linkers are promising for a wide range of applications due to their unique periodic frameworks that can be flexibly tuned. Understanding of the structure-activity relationships can facilitate the development and application of MOFs nanomaterials. Transmission electron microscopy (TEM) is a one-of-a-kind technique capable of characterizing MOFs microstructures at the atomic scale. Besides, in-situ TEM set-ups make it possible to direct visualize the microstructural evolution of MOFs in real time, which enables monitoring transitions of MOFs during growth as well as under working conditions. However, MOFs are so sensitive to the high-energy electron beam which makes TEM-based characterizing methods challenging. In this review, we first introduce the main damage mechanisms for MOFs under electron beam irradiation and two strategies to minimize the damages: low-dose TEM and cryo-TEM. Then, we discuss the techniques combined with the two strategies to analyze the MOFs’ microstructure, including three-dimensional electron diffraction, direct detection electron counting camera, and iDPC-STEM. Groundbreaking milestones and research advances with respect to static characterization of MOFs structures are highlighted. In-situ TEM studies are exemplary reviewed to provide insights into MOFs dynamics induced by various stimuli. Additionally, perspectives on promising techniques that may further facilitate the MOFs study using TEM are analyzed.

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

Two ligands, 1, 3-bis(4-carboxyphenyl)imidazolium chloride and 4, 4՛-bipyridine, were employed to prepare nickel and zinc azolium based MOFs, 1 and 2 by the mixed ligand solvothermal approach. The positively charged azolium moieties in the imidazolium linker resulted in a charged environment in the as-synthesized frameworks. As a result, 1 and 2 demonstrated preferential adsorption of CO2 over methane molecules in the gas phase adsorption due to the higher quadruple moment of CO2, which interacts more with the positively charged frameworks. Besides, in aqueous media, 1 and 2 exhibited incredible adsorption efficiency for anionic dyes. In the following, MOF 1 was metallated at the carbene site of the azolium linker to generate the novel heterogeneous catalyst 1-Pd, which was successfully applied for Sonogashira and Suzuki-Miyaura coupling reactions without losing its activity after three cycles.

Metal-organic frameworks (MOFs) have been subject of extensive scientific investigation in the last three decades and, currently, are one of the type of compounds most studied to be potentially applied in a wide range of distinct catalytic processes. Pristine MOF compounds provide several intriguing benefits for catalytic applications, including high interior surface areas and densities of active sites, allowing high catalytic reaction rates per volume, post-synthesis modified with com-plementary catalytic groups, enabling multiple functional groups to catalyze the reaction. Most of large-scale catalytic applications, including those in fuel processing, gas emission reduction and chemical synthesis, nevertheless the pristine MOFs often reveal limited stabilities and opportuni-ties for regeneration at high temperatures. As a result, the real applications of MOFs in these tech-nologies are likely to be constrained, and their controlled thermal modification aiming the prepa-ration of MOF-derivative compounds has been applied to induce crystalline structural changes and increase their structural stability, enhancing its potential applicability in more severe catalytic processes. Recent advances concerning the use of this strategy to boost the catalytic potential of the MOF-derivative compounds are outlined in this short-review article.

The direct methane to methanol (MTM) oxidation is a grand challenge in catalysis, with profound economical implications for the modern chemical industry. Bioinspired metal-organic frameworks (MOFs) with active iron and copper sites have been emerging very recently as innovative catalytic platforms to accomplish the MTM conversion under mild conditions. This review discusses the current state of the art regarding the application of MOFs with iron and copper catalytic centers to perform the MTM reaction, with a focus on the diverse spectroscopic techniques used to unveil the electronic and structural properties of the MOF catalysts at a microscopic level. We explore the synthetic strategies employed to incorporate iron and copper sites into different MOF topologies, the efficiency and selectivity of the iron- and copper-bearing MOF catalysts, and the ensuing MTM reaction mechanisms proposed on the basis of spectroscopic characterization supported by theory. In particular, we evidence how the combination of complementary spectroscopic tools probing different regions of the electromagnetic spectrum is particularly useful to reach a satisfactory understanding of the key reaction pathways and intermediates. Finally, we provide a critical perspective on future directions to advance the use of MOFs to accomplish the MTM reaction.

Organophosphorus nerve agents are amongst the most toxic chemicals known to human beings. 9 They interfere with the central nervous system, resulting in continuous muscle contractions, 10 paralysis and even death. Prohibition by many countries around the world cannot disguise the 11 remaining presence of nerve agents in stockpile storage and governmental deployment, 12 highlighting the dire need for an efficient catalyst to degrade and detoxify nerve agents by 13 hydrolysis. Metal-organic frameworks (MOFs) have raised a few eyebrows for their permanent 14 porosity, precise tunability, and lasting stability. Modern Reticular Chemistry fosters the design and 15 synthesis of well-defined crystalline MOFs with open Lewis acidic metal sites that can catalytically 16 hydrolyze nerve agents both in aqueous solution and in solid state systems, unveiling unparalleled 17 potential for MOF-based personal protection gears. In this review, a summary of the representative 18 catalytically active MOFs in nerve agent hydrolysis is discussed. MOFs are categorized by their 19 reticular structure, emphasizing the capability and mechanistic insights of each single MOF in nerve 20 agent hydrolysis. The author’s perspective on the current challenges and future directions of MOF- 21 based catalysts in real-world protection applications is also provided, which hopefully could shed some 22 light on the future development of commercially available MOF protection suits.

Nanoporous materials, such as Metal-Organic Frameworks (MOFs), are renowned for their high selectivity as gas adsorbents due to their specific surface area, nanoporosity, and active surface chemistry. A significant challenge for their widespread application is their behavior and reduced gas uptake in wet conditions, attributed to competitive adsorption between gas and water. The current understanding of gas adsorption in wet materials is constrained by studies that utilize only small amounts of powdered porous materials (in the milligram range) within very small reactors (1-5 mL). This leaves a significant gap in knowledge about gas adsorption behaviors in larger reactors and when MOF sample sizes are increased (to the gram scale) for scaling up the process. Additionally, there is a notable dearth of experimental research in situations where MOFs are heavily saturated with water. To address these gaps, this study measures CH4 adsorption in MOFs under conditions of high moisture content, using larger samples of MOFs (in grams) and a large volume reactor. We selected commercially available MOFs, including HKUST-1, ZIF-8, MOF-303, and activated carbon. A high-pressure isotherms (at T = 274.15 K) using volumetric approach were measured to qualitatively compare the moles of gas adsorbed under both dry and wet conditions across different MOFs and weights. Experimental results show that the presence of water led to a decrease in total CH4 mmol adsorption in MOFs, with a more significant decrease observed in hydrophilic MOFs compared to hydrophobic ones. For hydrophilic MOFs, presence of crossover isotherms at crossover pressure provided evidence of water's conversion to hydrate and its positive role in enhancing total gas uptake, which varied among different hydrophilic MOFs. Oversaturated MOFs showed a larger deviation between dry and wet cases at higher pressures. The high-pressure isotherm data confirm the positive role of hydrophilic MOFs in the conversion of water to hydrate in oversaturated MOFs when MOFs sample size is large.

With the evolution of toxic chemicals continuing to progress, developing methods for the destruction of chemical warfare agents (CWAs) has become an increasingly important research topic. Metal-organic frameworks (MOFs) are a class of porous crystalline solids that have sparked interest in this area. Due to their exceptional porosities and large surface areas, MOFs possess superior adsorption, reactivity, and catalytic abilities, making them structurally ideal candidates for the capture and decomposition of target species. Additionally, the tunable networks of MOFs allow their chemical functionalities to be customized for various applications and operating conditions, making them practicable in personal protective equipment and adjustable to dynamic environments. This paper reviews experimental and computational studies on CWA removal by MOFs, with a special emphasis on nerve agent (GB, GD, and VX) removal via hydrolysis and sulfur mustard (HD) removal via selective photooxidation. With extraordinary structural stability and reusability, zirconium-based MOFs are the most promising materials for hydrolytic and photooxidative degradation of CWAs and are thus the primary focus of this work. First-principles approximations of the intrinsic catalytic reaction mechanisms towards different agents in Zr-MOFs are summarized, and developments in the structure-property relationships governing Zr-MOF design rules for efficient degradation in the aqueous and solid phases are discussed. We also examine recent progress in tuning and functionalizing MOFs to promote practical CWA removal under realistic battlefield conditions.

In recent years, the class of metal-organic framework (MOF) materials emerged. These materials' unique properties can be assigned to their structure, containing inorganic nodes connected with organic linkers. Due to their porosity and flexibility, MOFs have become suitable for various energy-related applications, including gas storage, hydrogen production and heterogeneous catalysis, and photocatalysis. Using DFT+U calculations, we show that the substitution of metal centers in inorganic nodes and the strain engineering of UiO-66 alters the electronic and optical properties of this material. We show that applying mechanical strain on UiO-66 enables the control of absorption coefficient in the UV-Vis spectrum and the photocatalytic processes' selectivity when reactants for several photocatalytic processes are present. The presented findings could lead to general strategies for designing novel MOFs for sustainable energy conversion applications.

Metal-organic frameworks (MOFs) are investigated for the oxygen evolution reaction (OER) due to their structure diversity, high specific surface area, adjustable pore size and abundant active sites. However, the poor conductivity of most MOFs restricts this application. Herein, through a facile one-step solvothermal method, the Ni-based pillared metal-organic framework [Ni2(BDC)2DABCO] (BDC = 1,4-benzenedicarboxylate, DABCO = 1,4-diazabicyclo[2.2.2]octane), its bimetallic nickel-iron form [Ni(Fe)(BDC)2DABCO] and their modified Ketjenblack (mKB) composites were synthesized and tested towards OER in an alkaline medium (KOH 1 mol L–1). A synergistic effect of the bimetallic nickel-iron MOF and the conductive mKB additive enhance the catalytic activity of the MOF/mKB composites. All MOF/mKB composite samples (7, 14, 22, 34 wt.% mKB) indicated much higher OER performances than the MOFs and mKB alone. The Ni-MOF/mKB14 composite (14 wt. % of mKB) demonstrated an overpotential of 294 mV at a current density of 10 mA cm–2 and Tafel slope of 32 mV dec–1, which is comparable with commercial RuO2 commonly used as a benchmark material for OER. The catalytic performance of Ni(Fe)MOF/mKB14 (0.57 wt% Fe) was improved further to an overpotential of 279 mV at a current density of 10 mA cm–2. The low Tafel slope of 25 mV dec–1 as well as a low reaction resistance due to electrochemical impedance spectroscopy (EIS) measurement confirm the excellent OER performance of the Ni(Fe)MOF/mKB14 composite. For practical applications, the Ni(Fe)MOF/mKB14 electrocatalyst was impregnated into commercial nickel foam (NF), where overpotentials of 247 and 291 mV at current densities of 10 and 50 mA cm–2, respectively, were realized. The activity was maintained for 30 h at the applied current density of 50 mA cm–2. The electrocatalytic system consisting of earth-abundant Ni and Fe metals only would be attractive for the development of efficient, practical and economical energy conversion materials for efficient OER activity.

The flavin derivatives 10‐methyl‐isoalloxazine (MIA) and 6-fluoro-10-methyl-isoalloxazine (6F-MIA) were encapsulated in two alternative metal-organic frameworks, (MOFs) MIL53(Al) and MOF5, using a post-synthetic, diffusion-based incorporation into microcrystalline MIL-53 powders and an in-situ approach during the MOF-5 synthesis. The flavin@MOF composites were analyzed by powder X-ray diffractometry (PXRD), N2-sorption studies and time-resolved fluorescence spectroscopy and microscopy. The maximum amount of flavin dye incorporation is 3.9 wt% for MIA@MIL-53(Al) and 1.5 wt% for 6F-MIA@MIL-53(Al), 0.85 wt% for MIA@MOF-5 and 27.6 wt% for 6F-MIA@MOF-5. The emission wavelengths of all flavin@MOF composites mostly correspond to the wavelengths of the flavins in solution. Time-resolved spectroscopy showed that the fluorescence lifetime of flavin@MOF of 2-4.7 ns also corresponds to those in solution but is significantly prolonged compared to the solid flavin dyes with less than 1 ns, thereby confirming the concept of "solid solutions" for dye@MOF composites. The fluorescence quantum yield (ΦF) of the flavin@MOF composites is about half of the solution but is significantly higher compared to the solid flavin dyes. Both the fluorescence lifetime and quantum yield of flavin@MOF decrease with the flavin loading in MIL-53. Theoretical calculations using plane-wave and QM/MM methods are in good correspondence with the experimental results and explain the electronic structures as well as the photoluminescence/photophysical properties of crystalline MIA and the flavin@MOF composites. In the solids flavins π-stacking interactions of the molecules lead to a charge transfer state with low oscillator strength resulting in aggregation-caused quenching (ACQ) with low lifetimes and quantum yields. In the MOF pores the flavin molecules are separated and the computed MIA@MOF structures do not find π-stacking interactions to the pore walls but only weak van-der-Waals contacts which reasons the enhanced fluorescence lifetime and quantum yield of the flavins in the composites compared to their neat solid state. The flexible MOF MIL-53(Al) was optimized essentially to the experimental large-pore form in the guest-free state with QuantumEspresso (QE) and with MIA molecules in the pores the structure contracted to close to the experimental narrow-pore form which was also confirmed by PXRD. In summary, the incorporation of flavins in MOFs yields solid-state materials with enhanced rigidity, stabilized conformation and reduced aggregations of the flavins, leading to increased fluorescence lifetime and quantum yield as controllable photo-luminescent and photo-physical properties.

Visible-light photocatalysis, particularly in its application to organic synthesis, has experienced a big renaissance in the past decade. The rational design of new photocatalysts with designed and improved photocatalytic properties, that at the same time circumvents the necessity of using scarce and toxic transition metals, will predictably play a key role in photocatalysis in the next few years. Although free-base porphyrins were identified some years ago as a promising, easily accessible and easily tunable class of organic photoredox catalysts, a systematic study on the effect of the electronic nature and of the position of the substituents on both the ground-state and the excited-state redox potentials of these compounds is still lacking. We have prepared a set of known functionalized derivatives of meso-tetraphenyl porphyrin containing different substituents either in one of the meso-positions or at a beta-pyrrole carbon and we have determined their ground- and (singlet) excited-state redox potentials. This survey has led us to conclude that the introduction of a carbonyl group at the beta-pyrrolic position strongly increases the facility of the monoelectronic reduction of the porphyrin both in the ground state and in the singlet excited state. We have also prepared a second set of four previously unknown benzoyl derivatives of meso-tetraphenylporphyrin, and we have confirmed the validity of our conclusions.

Methane and carbon dioxide are the main contributors to global warming, being the methane effect twenty-five times more powerful than carbon dioxide. Although the sources of methane are diverse, it is a very volatile and explosive gas. One way to store the energy content of methane is its conversion to methanol. Methanol is liquid under ambient conditions, easy to transport and, apart from its use as an energy source, it is a chemical platform that can serve as a starting material for the production of various higher value-added products. Accordingly, the transformation of methane to methanol has been extensively treated in the literature, using traditional catalysts as different types of zeolites. However, in the last years, a new generation of catalysts have emerged to carry out this transformation with higher conversion and selectivity, and more importantly, under mild temperature and pressure conditions. These new catalysts typically involve the use of a highly porous supporting material such as zeolite, or more recently, metal-organic frameworks (MOFs) and graphene, and metallic nanoparticles or a combination of different types of nanoparticles that are the core of the catalytic process. In this review, the characteristics, the catalytic mechanisms, reactors, and the main results of these catalysts are presented as a way to overcome the challenges found in traditional catalysts.

Room-temperature phosphorescent (RTP) materials have been attracted tremendous interest owing to their unique material characteristics and potential applications for state-of-the-art optoelectronic devices. Recently, we have reported a synthesis and fundamental photophysical properties of new RTP materials based on benzil, i.e., fluorinated monobenzil derivative and fluorinated and non-fluorinated bisbenzil derivative analogues [Yamada, S. et al, Beilstein J. Org. Chem. 2020, 16, 1154–1162.]. To further understand their RTP properties, here we investigated the excited-state dynamics and photostability of the derivatives by means of time-resolved and steady-state photoluminescence spectroscopies. For these derivatives, clear RTP emissions with lifetimes on the microsecond timescale were identified. Among them, the monobenzil derivative was found to be the most efficient RTP material, showing both the longest lifetime and highest amplitude RTP emission. Time-resolved photoluminescence spectra measured at 77 K and density functional theory calculations revealed the existence of a second excited triplet state in the vicinity of the first excited singlet state for the monobenzil derivative, indicative of the presence of a fast intersystem crossing pathway. A discussion of the correlation between the excited state dynamics, emission properties, and conformational flexibility of the three derivatives is presented.

This paper is devoted to an accurate determination of the London dispersive and polar free energy of adsorption, the two Lewis acid γs+ and base γs- components of polar surface energy γsAB of 2D single-crystalline and polycrystalline covalent organic frameworks such as TAPPy-TPA-COFs. Inverse gas chromatography (IGC) at infinite dilution was used to quantify the different surface parameters of the different materials. From IGC measurements, one determined the net retention time of the adsorption of n-alkanes and several polar solvents on single-crystalline and polycrystalline covalent organic frameworks. The free surface Gibbs energy of adsorption was obtained for the various organic molecules at different temperatures from their net retention volume values. The separation between the London dispersive energy and the polar energy of adsorbed molecules was carried out by using a new thermodynamic parameter PSX chosen as new indicator variable and taken into account the deformation polarizability and the harmonic mean of the ionization energies of solvents and solid materials, derived from London dispersion equation. The obtained results are very promising for the accurate determination of the surface thermodynamic parameters of adsorption of organic solvents on solid surfaces.

Microstructured optical fibres (MOFs) are a new type of optical fibres that possess a wide range of optical properties and many advantages over common optical fibres. Those are provided by unique structures defined by a pattern of periodic or quasi-periodic arrangement of air holes that run through the fibre length. In recent years, MOFs have opened up new possibilities in the field of optics and photonics, enabling the development of advanced devices and novel optical systems for different applications. The key application areas of PCFs vary from telecommunications and high-power energy transmission to quantum optics and sensing. The stack-and-draw method is a standard manufacturing technique for MOFs, where a preform is first manually created and then drawn in a high-tech furnace into a fibre with the required final dimensions and position of the air holes. Since in the manufacturing process experimenters can control only a few parameters, mathematical models and numerical simulations of the drawing process are highly requested. They not only allow to deepen the understanding of physical phenomena occurring during the drawing process, but they also accurately predict the final cross-section shape and size of the fibre. In this manuscript, we assume thermal equilibrium between the furnace and the fibre and propose a functional form of the fibre temperature distribution. We utilise it with asymptotic mass, momentum, and evolution equations for free surfaces already available in the literature to describe the process of fibre drawing. By doing so, the complex heat exchange problem between the fibre and the furnace need not be solved. The numerical results of the whole asymptotic model overall agree well with experimental data available in the literature, both for the case of annular capillaries and for the case of holey fibres.

The study of biologically active substances from natural sources shows the prospect of obtaining a new type of antimicrobial agents, highly effective against pathogenic microorganisms and non-toxic to humans. Our study reveals for the first time that Cornu aspersum mucus has the potential to act as a source of antibacterial agents against bacterial pathogens such as Bacillus cereus 1085, Propionibacterium acnes 1897, Salmonella enterica 8691, Enterococcus faecalis 3915, and Enterococcus faecium 8754. Both mucus fractions with MW<20 kDa and MW>20 kDa showed antimicrobial activity and antioxidant properties that’s why they can be turned into an alternative agent to expensive synthetic antibacterial compounds. Using de novo sequencing 16 novel peptides with potential antibacterial activity were identified by in a fraction with MW<20 kDa. The results of electrophoretic and proteomic analysis of mucus fraction with MW >20 kDa presented proteins with potential antibacterial activity highly homologous to hemocyanins, mucus protein Aspernin, lectins, L-amino acid oxidase-like protein, and mucins (mucin-5AC, mucin-5B, mucin-2 and mucin-17). Thanks to the synergistic action of the bioactive components, the mucus fraction with MW > 20 kDa in low concentrations per 8–2 µg/mL showed promising antimicrobial activity against the tested bacteria, comparable to Vancomycin and without unwanted cytotoxic effects against non-target cells. Additionally, C. aspersum mucus fractions were found to have a positive effect on eukaryotic organisms by reducing the levels of intracellular oxidative damage and increasing the antioxidant capacity of the cell. These findings could serve as a basis for the development of a potent non-cytotoxic antibacterial agent to replace conventional antibiotics and avoid the development of antibiotic resistance.

DFT-D3 calculations based on structural X-ray diffraction data obtained for 3-oxo-camphorsulfonyl imine (1), camphorsulfonyl chloride (2) and seven camphor sulfonimines (O2SNC10H13NR, L1-L7) from which L2 (R=4-OHC6H4), L4 (R=4-ClC6H4) and L6 (R=3,5-(CH3)2C6H3) are new, provide information into the intra and inter molecular interactions with concomitant elucidation of the supramolecular arrangement of the compounds. The DFT D3 calculations performed in small clusters of 2 or 3 molecular units reproduce the interactions observed by X-ray analyses showing that as a general trend the structural arrangement of the molecules is driven by electronic rather than by packing parameters. In all compounds the self-assembly of 3D structures involves the sulfonyl imine group ( NSO2) either to establish hydrogen bonds, through the oxygen atoms or non-classic oxygen-aliphatic hydrogen or non-bonding interactions (NBI) which also involve the sulfonyl oxygens. Interestingly, the camphor sulfonimine compounds (L2, L3) having protic groups (R=C6H4X: X=OH, L2 or X=NH2, L3) at the aromatic imine substituents (=NR) present an extra π-π stacking which is absent in the other compounds aromatic derivatives. The X-ray analysis shows that all the reported camphor sulfonimine compounds display the E configuration with respect to the imine substituent (R). The study of the redox behavior of the compounds by cyclic voltammetry allows an insight into the solution properties of the compounds and the rationalization of the molecular interactions that stand in the solid and solution states. Camphor sulfonimine compounds (L) display appropriate binding atoms to coordinate transition metals. The herein results show that monodentate coordination through the nitrogen atom of the sulfonimine 5-membered ring to the {Ag(NO3)} metal center is favored. When this imine nitrogen atom is not itself involved in the Organic Framework DFT-D3 calculations shows that the complexation does not affect the non-covalent interactions that are reproduced in the MOF structure.

Novel Ca3(BTC)2 metal-organic frameworks with different sizes and shapes constructed by Ca2+ and trimesic acid as metal center and ligands respectively were synthesized by a surfactant-assisted method. The relationship between the quantity of surfactant and the particle morphology of the product have been further studied. The samples were characterized by scanning electron microscope, powder X-ray diffraction and Inductively coupled plasma mass spectrometry. The results indicated that the size and shape of Ca3(BTC)2 could be regulated by changing the quantity of surfactant. Rod- and sheet-like Ca3(BTC)2 MOFs have been readily availabled. The removal kinetics of heavy metals of Pb(II) were also studied by rod-like Ca3(BTC)2. The results showed that as-synthesized Ca3(BTC)2 could effectively remove heavy metals of Pb(II) from the sewage.

The climate change is likely to modify the freezing-thawing cycles in soils and surface waters of permafrost-affected and subarctic regions. Yet, the change of solution chemical composition during ice formation and evolution of remaining fluids remain very poorly known. Towards better understanding of dissolved (&lt; 0.45 µm) organic carbon, major and trace elements behavior in permafrost peatland environments, here we performed laboratory freezing of peat leachates, from complete freezing to complete thawing in order to quantify the partitioning of solutes between the aqueous solution and the remaining ice. We hypothesized the existence of two main groups of solutes, behaving conservatively or non-conservatively during freezing depending on their incorporation into the ice or ability to coagulate in the form of insoluble minerals or amorphous materials in the fluid phase. An unexpected result of this work was that, despite sizable degree of element concentration in the remaining fluid and possible coagulation of organic, organo-mineral and inorganic compounds, the freezing and subsequent thawing produced the final concentrations of most solutes which were not drastically different from initial concentrations in starting leachates, prior freezing. This demonstrates high stability of dissolved (&lt; 0.45 µm) OC, Fe, Al and some trace metals to repetitive freezing and thawing of surface waters in permafrost peatlands.

Microwave technology has a potential application in the extraction of zinc from sulphide ores, knowledge of the dielectric properties of these ores plays a major role in the microwave design and simulation for any process. The dielectric properties of zinc sulfide concentrate for two different apparent densities—1.54 and 1.63 g/cm³—have been measured by using the resonance cavity perturbation technique at 915 and 2450 MHz during the roasting process for the temperature ranging from room temperature to 850 °C. The variations of dielectric constant, the dielectric loss factor, the dielectric loss tangent and the penetration depth with the temperature, frequency and apparent density have been investigated numerically. The results indicate that the dielectric constant increases as the temperature increases and temperature has a pivotal effect on the dielectric constant, while the dielectric loss factor has a complicated change and all of the temperature, frequency and apparent density have a significant impact to dielectric loss factor. Zinc sulfide concentrate is high loss material from 450 to 800 °C on the basis of theoretical analyses of dielectric loss tangent and penetration depth, its ability of absorbing microwave energy would be enhanced by increasing the apparent density as well. The experimental results also have proved that zinc sulfide concentrate is easy to be heated by microwave energy from 450 to 800 °C. In addition, the experimental date of dielectric constant and loss factor can be fitted perfectly by Boltzmann model and Gauss model, respectively.

Metal-organic frameworks (MOFs) represent the largest class of materials among the crystalline porous materials ever developed and have attracted attention as core materials for separation technology. Their extremely uniform pore aperture and nearly unlimited structural and chemical characteristics have attracted great interest and promise in applying MOFs to adsorptive and membrane–based separations. This paper reviews the recent research and development of MOF membranes for gas separation. Strategies for polycrystalline membranes and mixed matrix membranes are discussed, with a focus on separation systems involving hydrocarbon separation and CO2 capture. Challenges and opportunities for the industrial deployment of MOF membranes are also be discussed, providing guidance for the design and fabrication of future high-performance membranes. The contributions of the underlying mechanism to separation performances, and the adopted strategies and membrane processing technologies for breaking the selectivity/permeability trade–off are discussed.

Metal-organic framework (MOF) is a porous hybrid material of metal ions connected by organic bridging ligands. The coordination bonds link the metal ions, metal-ion clusters, and organic ligands to create the MOFs, and the materials are a distinctive class of crystalline frameworks. These porous materials possess relatively large surface area, tunable pore sizes, various functionalities, and high thermal stability. Therefore, diverse area of research including electrochemical sensor development utilizes distinctive and engineered MOFs materials. The review critically analyzes the strategy adopted for synthesizing a variety of MOFs materials. The role of these engineered materials in the fabrication of a miniaturized device demonstrates the detection of various emerging water contaminants in an aqueous medium. The studies demonstrated an understanding of the insights of sensor and device development. Moreover, the challenges encountered utilizing the MOFs in the electrochemical sensor development are precisely included, along with future perspectives of these studies.

Herein, we report on a versatile system composed of two Ni(II)-based coordination compounds: a 3D metal-organic framework of {[Ni(μ-3isoani)2]·DMF}n (1) formula and a 0D monomeric [Ni(3isoani)2(H2O)4] (2) complex (where 3isoani = 3-aminoisonicotinato and DMF = dimethylformamide) which show mutual solvent-induced reversible transformations into each other. These 1 ↔ 2 transformations are triggered by the exposure of one compound to the solvent present in the other, that is, the MOF (1) in water and the monomer (2) in DMF. The process is easily followed by the naked eye because it involves a colour change from green (1)-to-brownish green (2), making the system potentially interesting to act as a sensor of those solvents. Moreover, these compounds present very different magnetic properties since 1 shows field-induced single-molecule magnet (SMM) behaviour, which corresponds to one of the few Ni(II)-based compounds showing this property, whereas 2 behaves as a regular paramagnet, all of which is explained according to a careful study of the magnetic properties by means of experimental direct-current (dc) and alternating-current (ac) measurements as well as complete active space self-consistent field (CASSCF) calculations.

The present article describes the synthesis of an isonicotinate-derived meso-arylporphyrin, that has been fully characterized by spectroscopic methods (including fluorescence spectroscopy), as well as by elemental analysis and by HR-MS. The structure of a n-hexane monosolvate has been determined by single crystal X-ray diffraction analysis. The radical scavenging activity of this new porphyrin against the 2,2-diphenyl-1-picrylhydrazyl (DDPH) radical has been measured. Its antifungal activity against three yeast strains (C. albicans ATCC 90028, C. glabrata ATCC 64677 and C. tropicalis ATCC 64677) has been tested, using the disk diffusion and the microdilution methods. Whereas the measured antioxidant activity was low, the porphyrin showed moderate but encouraging antifungal activity. Finally, a study of its effect on the germination of lentil seeds revealed interesting allelopathic properties.

The chemical investigation of the anti-yeast methanol extract from the stem bark of Terminalia mantaly led to the isolation of seven compounds: 3-O-methyl-4-O-α-rhamnopyranoside ellagic acid (1), 3-O-mehylellagic acid (2), arjungenin or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid (3), arjunglucoside or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid glucopyranoside (4), 2α,3α,24-trihydroxyolean-11,13(18)-dien-28-oïc acid (5), stigmasterol (6), stigmasterol 3-O-β-D-glucopyranoside (7). Their structures were established by means of spectroscopic analysis and comparison with published data. Compounds 1-5 were tested in vitro for activity against three pathogenic yeast isolates, Candida albicans, Candida parapsilosis and Candida krusei. The activity of compounds 1, 2 and 4 were comparable to that of the reference compound fluconazole (MIC values below 32 µg/ml) against the three tested yeast isolates. They were also tested for inhibitory properties against four enzymes of metabolic significance: Glucose-6-Phosphate Deshydrogenase (G6PD), human erythrocyte Carbonic anhydrase I and II (hCA I and hCA II), Glutathione S-transferase (GST). Compound 4 showed highly potent inhibitory property against the four tested enzymes with overall IC₅₀ values below 4 µM and inhibitory constant (Ki) <3 µM.

Alkaloid-based urea derivatives were produced with high yield through the reaction of anabasine and cytisine with isoxazolylphenylcarbamates in boiling benzene. Their antitumor ac-tivity in combination with the commonly used six anticancer drugs namely cyclophosphane, fluorouracil, etoposide, cysplatine, ribomustine with different mechanisms of action was investi-gated. Based on the quantum chemical calculations data and molecular docking, hypotheses have been put forward to explain their mutual influence when affecting on the С6 rat glioma model cells.

During the last years there has been a high interest in the development of new purely-organic single-component conductors. Very recently, we have reported a new neutral radical conductor based on the perchlorotriphenylmethyl (PTM) radical moiety linked to a monopyrrolo-tetrathiafulvalene (MPTTF) unit by a -conjugated bridge (1). Interestingly, this system behaves as a semiconductor with high conductivity and small energy gap under high pressure. With the aim of developing a new material with improved conducting properties, we have designed and synthesized the radical dyad 2 which was functionalized with an ethylenedithio (EDT) group in order to improve the intermolecular interactions of the TTF subunits. The physical properties of the new radical dyad 2 were studied in detail in solution to further analyze its electronic structure as well as its potential use as radical conductor in the solid state.

Keywords: liquid alloys, microstratification, dispersed particles, spontaneous dispersion, criteria for true (entropic) spontaneous dispersion, mechanisms of quasi-spontaneous dispersion, methods and results for assessing size of dispersed particles.

Copper is a heavy metal used in many industries and known for its negative impacts on the environment and human’s health. A novel structured metal organic framework (MOF) was used for copper adsorption for this work. SEM, EDAX, XRD and FTIR were done to confirm the structure of MOF prepared. MOF of 0.05 gm was used to examine its ability in Cu+ 2 removals with different initial concentrations of Cu+2 and pH values (5, 7 and 9). The prepared MOF was able to achieve Cu removal with 94.6%, 93%, 91.5%, and 92.5 % for the initial concentrations of 5, 10, 15, and 20 ppm respectively. It also performed very well for pH 5 and 7 with average removal ranging from 93.9%-95% for pH 5 and 7 for the initial concentrations of 5, 10, and 15 respectively which indicate that the prepared MOF is of high ability in Cu+ 2 removal.

Gas membrane-based separation is considered one of the furthermost effective technology to address energy efficiency and large footprint challenges. Various classes of advanced materials including polymers, zeolites, porous carbons and metal–organic frameworks (MOFs) were attempted as membranes for gas separation. MOFs, among other porous materials, possess uniquely tunable nature, in which the pore size and environment can be controlled by connecting metal ions (or metal ion clusters) with organic linkers with various functionalities. This feature makes them attractive for thin membrane fabrication, as both diffusion and solubility components of permeability can be altered. It is interesting to notice that numerous reports have addressed the synthesis of different MOFs, fabrication of their corresponding thin films and their applications, nonetheless, relatively limited studies addressed their gas separation application as membranes. In this review, we provide a synopsis of the various MOF-based membranes that were fabricated in the last decade. In this review we propose a short introduction touching on the gas separation membrane technology and we shed light on (i) the various techniques developed for the fabrication of MOF as membranes and (ii) challenges and application for MOF thin film membranes in various important gas separation applications.

The effect of doublet state metalloradical complex in a solar cell inside the common active layer poly(3-hexylthiophene)/ [6,6]-phenyl-C61-butyric acid methyl ester (P3HT/PC60BM) is explored. In this work is demonstrated that the role of the Bis-[1,3-Bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene]palladium(I) hexafluoridophosphate dopant, [Pd(IPrCl)2][PF6], is crucial because, by having a stable unpaired electron in the molecule, it significantly improves the optoelectronic performance of the devices. We found the optimal concentration of this molecule in the active layer, and we demonstrated that the presence of this additive in the active layer helps to significantly improve the morphology of the device. The improvements in optoelectronic and morphological parameters are associated with a remarkable increase of photocurrent generation due to more favourable mechanisms of charge separation at the donor/acceptor (D/A) interfaces of the active layer and reduced recombinations. Moreover, the presence of this additive improves the stability of the unencapsulated solar cell against photochemical degradation produced by sunlight.

Japanese plum tree (Prunus salicina Lindl.) is mainly cultivated in temperate areas of China and some European countries. Certain amounts of wood (from pruning works) are generated every year from this crop of worldwide commercial significance. The main objective of this work was to value this agricultural woody residue, for which the chemical composition of pruning wood extracts from six Japanese plum cultivars was investigated, and the antiproliferative activity of extracts and pure phenolics present in those extracts was measured. For the chemical characterization, total phenolic content and DPPH radical-scavenging assays and HPLC‒DAD/ESI‒MS analyses were performed, the procyanidin (‒)-ent-epicatechin-(2α→O→7,4α→8)-epicatechin (5) and the propelargonidin (+)-epiafzelechin-(2β→O→7,4β→8)-epicatechin (7) being the major components of the wood extracts. Some quantitative differences were found among plum cultivars, and the content of proanthocyanidins ranged from 1.50 (cv. ‘Fortune’) to 4.44 (cv. ‘Showtime’) mg/g of dry wood. Regarding the antitumoral activiy, eight wood extracts and four phenolic compounds were evaluated in MCF-7 cells after 48 h of induction, showing the wood extract from cv. ‘Songold’ and (‒)-annphenone (3) the best antiproliferative activity (IC50: 424 ppm and 405 ppm, respectively).

Leishmaniasis are neglected diseases that affect regions such as South Asia, South Africa and Latin America, less developed regions. Current treatment, for cutaneous, mucocutaneous and visceral leishmaniosis, which are the main forms of the disease, is based on the administration of pentavalent antimonial and amphotericin B. However, these drugs have low efficacy and high toxicity. For this reason, the search for new treatments for this disease is necessary, based on studies of new molecules and their conformations. The research proposed the conformational study of brominated guanidine compounds with potential antileishmanial activity using Nuclear Magnetic Resonance (NMR) and X-ray diffraction (XRD) techniques. The present study involves the bro-minated molecules, LQOF-G2, LQOF-G30, LQOF-G35 and LQOF-G35-Br. The later was synthesized by the reaction of LQOF-G35 with NBS under IR irradiation at 120 Watts of potency and dichloro-methane as solvent by 12-h of exposition. The obtained results demonstrated the efficiency of the bromination method, since two bromines atoms entered the molecule. Furthermore, NMR analysis showed the occurrence of a conformational change from Z to E when compound LQOF-G35 was brominated to LQOF-G35-Br. This feature was well confirmed by comparative DRX study of the LQOF-G35 and LQOF-G35-Br compounds. The antileishmanial activity of LQOF-G2 e LQOF-G35 motivated the synthesis of new brominated compounds LQOF-G30 e LQOF-G35-Br.

Heavy metals and organic pollutants are ubiquitous environmental pollutants affecting the quality of soil, water and air. Over the past 5 decades, many strategies have been developed for the remediation of polluted water. Strategies involving aquatic plant use are preferable to conventional methods. In this study, an attempt was made to provide a brief review on recent progresses in research and practical applications of phytoremediation for water resources with the following objectives: (1) to discuss the toxicity of toxic chemicals pollution in water to plant, animals and human health (2) to summarise the physicochemical factors affecting removal of toxic chemicals such as heavy metals and organic contaminants in aqueous solutions by aquatic plants; (3) to summarise and compare the removal rates of heavy metals and organic contaminants in aqueous solutions by diverse aquatic plants; and (4) to summarise chemometric models for testing aquatic plant performance. More than 20 aquatic plants specie have been used extensively while duckweed (L. minor), water hyacinth (Eichhornia crassipes), water lettuce (P. stratiotes) are the most common. Overall, chemometrics for performance assessment reported include: Growth rate (GR), Growth rate inhibition (% Inhibition), Metal uptake (MU), translocation/transfer factor (TF), bioconcentration factor (BCF), Percent metal uptake (% MU), Removal capacity (RC) and Tolerance index (TI) while absorption rate have been studied using the sorption kinetics and isotherms models such as pseudo-first-order (PFO), pseudo-second-order (PSO), Freundlich, Langmuir and Temkin. Using modeling and interpretation of adsorption isotherms for performance assessment is particularly good and increases level of accuracy obtained from adsorption processes of contaminant on plant. Conclusion was drawn by highlighting the gap in knowledge and suggesting key future areas of research for scientists and policymakers.

Cancer has been considered one of the most serious diseases in recent decades. Early diagnosis of cancer is a crucial step for an expedited treatment. Ideally, detection of cancer biomarkers, which are usually elevated because of cancer, is the most straightforward approach to detect cancer. Consequently, the accurate, effective, and prompt detection of these compounds is an insistent need for the medical diagnosis of the disease in order to start an early therapy plan for the patients. Among these biomarkers, Carcinoembryonic antigen (CEA) is considered one of the most important tumor markers for colorectal cancer, but it has been also used as a biomarker for other types of cancers, including breast, gastric, ovarian, pancreatic, and lung cancers. Typically, conventional CEA testing depends on immunoassay approaches, which are known to be complex, highly expensive, and time-consuming. In this context, many biosensors were designed for the aim of detecting cancer biomarkers. The main prerequisites of these biosensors are high sensitivity, fast response, and low cost. Many nanostructures have been involved in the design of biosensors. Metal organic frameworks (MOFs) were found to be one of the most potential and promising materials for biosensing. MOFs are highly porous and crystalline materials that consist of metal clusters surrounded by organic linkers, where the assembly of these components gives rise to the exquisite geometric 3D structures of MOFs. Moreover, the unique structure and geometry of MOFs allow for a better tailoring of their design to provide properties that are needed by different categories of biosensors. In the past few years, researchers have extensively considered MOFs for their fabrication of biosensors that can be used for the early detection of cancer biomarkers. In this regard, MOFs were used solely or were further decorated with other nanostructures to introduce more accurate signals and lower limits of detection. This review briefly classifies and describes MOFs-based biosensors trials that have been published recently for the aim of detecting CEA.

This article aims to assess Pakistan's National Spatial Data Infrastructure implementation efforts through well-established approaches including the SDI readiness model, organizational aspects, and state of play. The findings underscored challenges related to human resources, SDI education/culture, long-term vision, GI awareness, sustainable funding, metadata availability, online geospatial services, and geospatial standards hindering the NSDI development in Pakistan. However, certain factors, such as the legal framework for NSDI establishment, web connectivity, geospatial software availability, core spatial dataset availability, and institutional leadership, exhibit favorable standings. Thus, to enhance the development of NSDI for Pakistan, recommendations include bolstering financial and human resources, improving online geospatial presence, and fostering a long-term vision for NSDI.

In the frame of our diversity-oriented research on multitarget small molecule anticancer agents, utilizing convergent synthetic sequences terminated by Sonogashira coupling reactions, a preliminary selection of representative alkyne-tethered vindoline hybrids was synthesized. The novel hybrids with additional pharmacophoric fragments of well-documented anticancer agents, including FDA-approved tyrosine-kinase inhibitors (imatinib and erlotinib) or ferrocene or chalcone units, were evaluated for their antiproliferative activity on malignant cell lines MDA-MB-231 (triple negative breast cancer), A2780 (ovarian cancer), HeLa (human cervical cancer) and SH-SY5Y (neuroblastoma) as well as human embryonal lung fibroblast MRC-5 served as reference non-malignant cell line for the assessment of the therapeutic window of the tested hybrids. The biological assays identified a trimethoxyphenyl-containing chalcone-vindoline hybrid (36) as a promising lead compound exhibiting submicromolar activity on A2780 cells with a marked therapeutic window. These results suggest that ovarian cancer might be considered as a prioritized target of treatment with 36.

We have detected a large Nernst effect in the CDW state of the multiband organic metal α−(BEDT−TT)2KHg(SCN)4. We find that there exists a significant gradient of charge relaxation processes that can generate a sizeable contribution adding especially to the transverse thermoelectric signal. Apart from the phonon drag, the energy relaxation processes governing the electron-phonon interactions and the momentum relaxation processes governing the charge mobility of the q1D group of carriers have a significant role in observing the large Nernst signal in the CDW state. The emphasised momentum relaxation dynamics in the low field CDW state is a clear indicator of a significant carrier mobility that can lead to the largest Nernst signal in this state. The momentum relaxation is reduced with increasing angle and magnetic field, i.e., in the high field CDW state which is reflected in the smaller Nernst effect amplitude. In this case only the phonon drag and electron-phonon interactions are contributing to the transverse thermoelectric signal. Our findings advance and change the previous observations on the complex properties of this organic metal.

For centuries, humans have relied on natural products to prevent and treat numerous health issues. However, biologically active compounds from natural sources, such as polyphenols, face significant challenges, including low solubility, rapid metabolism, and instability, which hinder their effectiveness. Advances in science and nanotechnology have provided solutions to overcoming these problems through the use of porous silica materials. These materials possess unique properties, such as a high specific surface area, adjustable particle and pore sizes, and a surface that can be easily and selectively modified. In this review, we summarize and discuss findings on how the pore and particle size, structure, and surface modification of silica materials influence the preparation of efficient delivery systems for biologically active polyphenols from natural sources. The available data demonstrate how parameters such as adsorption capacity, release and antioxidant properties, bioavailability, solubility, stability, etc. of the studied delivery systems could be affected by the structural and chemical characteristics of the porous silica carriers.

The biomass fraction of processed municipal and industrial wastes added to soil can maintain, and in some case improve, the soil’s organic fertility. One of the main constraints in the agricultural use of the sewage sludge is its content of heavy metals. In the long term, soil administration of sewage sludge in agriculture could result in a risk of environmental impact. The aim of this research was to evaluate the effects of medium-term fertilization with sewage sludge diversely processed on the soil’s organic carbon content and humification – mineralization soil’s processes and on the physical and mechanical properties of soil. Furthermore, the heavy metals accumulation in soil, in their total and available form, has been investigated. After eight years of administration to soil, the use of sewage sludge as an agricultural soil amendment has contributed to maintaining the soil’s organic fertility. An increase in concentrations of total Ni and Zn was detected in soil. For bioavailable form (DTPA-extractable) this trend was evidenced for all heavy metals analysed. However, the concentrations of total and available heavy metals in the soil did not exceed the legal threshold established by Italian law for unpolluted soils.

Indole is a versatile pharmacophore widely distributed in bioactive natural products. This privileged scaffold has been found in a variety of molecules isolated from marine organisms such as algae and sponges. Among these, indole alkaloids represent one of the biggest, most promising family of compounds, having shown a wide range of pharmacological properties, including anti-inflammatory, antiviral and anticancer activities. The aim of this review is to show the current scenario of marine indole alkaloid derivatives, covering not only the most common chemical structures, but also new synthetic routes developed during the last years as well as promising therapeutic applications.

Two new Mn(II) and Zn(II) metal-organic compounds of 1,10-phenanthroline and methyl benzoates viz. [Mn(phen)2Cl2]2-ClBzH (1) and [Zn(4-MeBz)2(2-AmPy)2] (2) (where, 4-MeBz = 4-methylbenzoate, 2-AmPy = 2-aminopyridine, phen = 1,10-phenanthroline, 2-ClBzH = 2-chlorobenzoic acid) have been synthesized and characterized using elemental analysis, TGA, spectroscopic (FTIR, electronic) and single crystal X-ray diffraction techniques. Crystal structure analysis of the compounds reveals the presence of various non-covalent interactions which provides stability to the crystal structures. Crystal structure analysis of the compound 1 reveals the formation of supramolecular dimer of 2-ClBzH enclathrated within the hexameric host cavity formed by the neighboring monomeric units. Compound 2 is a mononuclear compound of Zn(II) where flexible binding topologies of 4-CH3Bz is observed with the metal centre. Moreover various non-covalent interactions such as lp(O)-π, lp(Cl)-π, C‒H∙∙∙Cl, π-stacking interactions as well as N‒H∙∙∙O, C‒H∙∙∙O and C‒H∙∙∙π hydrogen bonding interactions are found to be involved in plateauing the molecular self-association of the compounds. The remarkable enclathration of the H-bonded 2-ClBzH dimer into a supramolecular cavity formed by two [Mn(phen)2Cl2] complexes has been further studied theoretically using density functional theory (DFT) calculations, non-covalent interaction (NCI) plot index and quantum theory of atoms in molecules (QTAIM) computational tools. Synergistic effects have been also analysed using molecular electrostatic potential (MEP) surface analysis.

Xanthone derivatives, a class of natural compounds abundantly found in plants such as mangosteen (Garcinia mangostana) and certain herbs, have garnered substantial interest due to their diverse pharmacological properties, including antioxidant, anti-inflammatory, and anti-cancer activities. Recent investigations have unveiled their potential as modulators of enzymatic activity, prompting exploration into their effects on hyaluronidase-mediated HA degradation, and their effects in topical treatment of telangiectasia and rosacea. Telangiectasia and rosacea are common dermatological conditions characterized by chronic skin inflammation, vascular abnormalities, and visible blood vessels, resulting in significant cosmetic concerns and impaired quality of life for affected individuals. This review aims to provide a comprehensive overview of the current understanding regarding the interplay between mechanisms of action by which xanthone derivatives exert their therapeutic effects, including the inhibition of pro-inflammatory cytokines, modulation of oxidative stress pathways, and regulation of vascular endothelial growth factors. Furthermore, we will discuss the implications of harnessing xanthone derivatives as therapeutic agents for mitigating vascular dysfunction and its associated pathologies, thereby offering insights into future research directions and therapeutic strategies in the field of vascular biology.

In the decarbonization of the steel, cement, and chemical industry in Germany, green hydrogen is expected to play a crucial role. The utilization of green hydrogen in the production processes of said industries requires organizations to modify their business model, requiring sustainable business model innovation (SBMI). Numerous tools and frameworks that support organizations in the process of SBMI have been proposed in the literature in recent years. However, the applicability of these tools and frameworks for steel, cement, and chemical companies that intend to utilize green hydrogen to produce their goods remains unexplored. By conducting a systematic literature review on tools and frameworks for SBMI, a literature and practice review to identify and analyze existing green hydrogen projects of steel, cement, and chemical companies, and an evaluation of the identified tools and frameworks in an evaluation matrix, this paper aims to assess the suitability of SBMI tools and frameworks for steel, cement, and chemical companies that plan to use green hydrogen to produce their goods. Based on the evaluation, the Cambridge Business Model Innovation Process (CBMIP) was identified as the most suitable SBMI framework.

Hydrogen gas (H2) has attracted attention as a next-generation clean energy source. Its efficient and safe preparation and utilization are crucial in both industry and organic chemistry. In this study, a Pt/CB-catalyzed MW-mediated continuous-flow hydrogenation reaction was developed using methylcyclohexane (MCH) as the reducing agent (hydrogen carrier). Alkynes, alkenes, nitro groups, benzyl esters, and aromatic chlorides were chemoselectively hydrogenated using Pt/CB under MW-assisted continuous-flow conditions. This methodology represents a safe and energy-efficient hydrogenation process, as it eliminates the need for an external hydrogen gas supply or heating jackets as a heat medium. Further application of MW-mediated continuous-flow hydrogenation reactions is a viable method for the efficient generation and utilization of sustainable energy.

The composition of fine-ground lead zirconate-titanate powder Pb(Zr_0.52Ti_0.48)O₃, suspended in PZT and bismuth titanate (BiT) solutions, is deposited on the curved surface of IN718 and IN738 nickel-based supper alloy substrates up to 100 µm thickness. Photochemical metal organic and infiltration techniques are implemented to produce smooth, semi-dense, and crack-free random orientated thick piezoelectric films as piezo-sensors, free of any dopants or thickening polymers. Every single layer of the deposited films is heated at 200 °C with 10 wt.% excess PbO, irradiated by UV lamp (365 nm, 6 watt) for 10 minutes, pyrolyzed at 400 °C, and subsequently annealed at 700 °C for one hour. This process is repeated successively until reaching the desired thickness. Au and Pt thin films are deposited as the bottom and top electrodes using evaporation and sputtering methods, respectively. PZT/PZT and PZT/BiT composite films are then characterized and compared to similar PZT and BiT thick films deposited on the similar substrates. The effect of composition and deposition process is also investigated on the crystalline phase development and microstructure morphology as well as dielectric, ferroelectric and piezoelectric properties of piezo-films. The maximum remnant polarization of P_r = 22.37 ± 0.01, 30.01 ± 0.01 µC/cm², the permittivity of ε_r = 298 ± 3, 566 ± 5 and piezoelectric charge coefficient of d₃₃ = 126, 148 m/V were measured versus the minimum coercive field of E_c = 50, 20 kV/cm for the PZT/PZT and PZT/Bit thick films, respectively. The thick film piezo-sensors are developed to be potentially used at frequency bandwidth of 1–5 MHz for rotary structural health monitoring and also in other industrial or medical applications as a transceiver.

We used a metal-organic chemical vapor deposition technique to synthesize a boron-doped reduced graphene oxide (B-rGO) material with various electrical characteristics, dependent on simultaneous reduction and doping procedures. The effect of the doping level on the B bonding in the reduced graphene oxide (rGO) layer controlled by the annealing temperature was investigated using X-ray photoelectron spectroscopy (XPS). The XPS data indicated that the B-rGO layer had a higher B concentration and a considerable number of O-B bonds as a result of the appreciable annealing temperature, which resulted in a decreased work function and Schottky contact between B-rGO and n-type Si. Owing to the higher proportion of B-C and B-C3 bonding in the B-rGO device than that in the rGO/Si device, the lower Schottky barrier height of the B-rGO/n-Si vertical junction photodetector resulted in a higher responsivity. This work suggests a facile method of B doping to alter the electrical properties of graphene materials.

A novel fluorescent probe (C460@Tb-MOFs) was designed and synthesized through encapsulating the fluorescent dye 7-diethylamino-4-methyl coumarin into terbium-based metal-organic framework by a simple ultrasonic impregnation method. It is impressive that this dye-modified metal-organic framework can specifically detect styrene and temperature upon luminescence quenching. The sensing platform of this material exhibit great selectivity, fast response and good cyclability toward styrene detection. It is worth mentioning that the sensing process undergoes a distinct color change from blue to colourless, providing conditions for accurate visual detection of styrene liquid and gas. The significant fluorescence quenching mechanism of styrene toward C460@Tb-MOFs is explored in detail. Moreover, the dye-modified metal-organic framework can also achieve temperature sensing from 298 to 498 K with high relative sensitivity at 498 K. The preparation of functionalized MOFs composites by fluorescent dyes provides an effective strategy for the construction of sensors for multifunctional applications.

Abstract: This work is part of the interest of solving the problems of water contamination with last generation pollutants, for which a novel and in an aqueous medium FeBTC material incorporated with magnetite nanoparticles was proposed. That material was synthesized by in situ solvothermal method, the Fe3O4 nanoparticles were added during the Fe-BTC MOF synthesis and used in the drug’s adsorption. The materials were characterized by XRD, FTIR and Raman spectroscopy, and N2-physisorption at 77 K. Fe3O4-FeBTC material showed a maximum adsorption capacity of 357.1 mg g−1 for diclofenac sodium, 70.9 mg g−1 for naproxen sodium, and 122.9 mg g−1 for Ibuprofen. A pseudo-second-order kinetic model can describe the adsorption process, and the thermodynamic study revealed that the adsorption of the three drugs was a feasible, spontaneous, and exothermic process. The incorporation of magnetite nanoparticles in the FeBTC considerably increased the adsorption capacity of pristine FeBTC. Also, hybridization of the FeBTC with magnetite nanoparticles reinforced the most vulnerable part of the MOF, increasing its thermal and aqueous media stability. The electrostatic interaction, H-bonding, and interactions in the open-metal sites played a vital role in drug adsorption. The competition of sites in the multicomponent mixture's adsorption showed selective adsorption at diclofenac sodium and naproxen sodium.

The continuous casting process of helical fiber reinforced metal matrix composites was proposed, and the experimental equipment was designed and manufactured. The relationship model be-tween the process parameters and the helical shape of the fibers in the metal matrix is analyzed by differential geometry. Helical carbon fiber reinforced lead matrix composites were prepared under different conditions. When the melting temperature and cooling intensity were increased, the helical radius of helical carbon fiber in lead matrix was increased. When the fiber rotation speed was increased, the helical radius was decreased, and the helical pitch was de-creased proportionally. The experimental results are consistent with the process model. Carbon fiber rein-forced aluminum composites were prepared. Scanning electron microscopy showed that the infiltration between the aluminum matrix and the carbon fiber was not complete. As the volume fraction of carbon fiber which was added in composites is too small, the mechanical properties of the composites have not been significantly improved.

Here we report a new synthetic protocol based on Microwave- Assisted Synthesis (MAS) for the preparation in higher yields of zinc and copper MOFs based on different bis(pyrazolyl)-tagged ligands ([M(BPZ)]n where M = Zn(II), Cu(II), H2BPZ = 4,4′-bipyrazole, [M(BPZ-NH2)]n where M = Zn(II), Cu(II); H2BPZ-NH2 = 3-amino-4,4’-bipyrazole, and [Mx(Me4BPZPh)] where M = Zn(II), x = 1; Cu(II), x = 2; H2Me4BPZPh = bis-4′-(3′,5′-dimethyl)- pyrazolylbenzene) and a detailed study of their antibacterial activity, tested against Gram-negative (E. coli) and Gram-positive (S. aureus) bacteria, as representative agents of infections. The results show that all MOFs exert a broad-spectrum activity and strong efficiency in bacterial growth inhibition, with a mechanism of action based on surface contact of MOFs particles with bacterial cells through the so-called “chelation effect” and reactive oxygen species (ROS) generation, without a significant release of Zn(II) and Cu(II) ions. In addition, morphological changes were elucidated by using scanning electron microscope (SEM) and bacterial cell damage was further confirmed by confocal laser scanning microscopy (CLSM) test.

Electrochemiluminescence (ECL) has attracted increasing concerns owing to its intrinsic advantages of high sensitivity, good stability, and low background. Considering the fact that framework nanocrystals such as metal-organic frameworks and covalent organic frameworks have the accurate molecular structures, a series of frameworks-based ECL platforms are developed for decoding the emission fundamentals. The integration of fluorescent ligands into frameworks significantly improves the ECL properties due to the arrangement of molecules and intramolecular electron transfer. Moreover, the frameworks various topology can be easily functionalized with the recognition elements to trace the targets for signal readout. These ECL enhancement strategies lead to a series of sensitive analytical methods for protein biomarkers, DNA, small biomolecules, and cells. In this review, we have summarized recent advances in various functions of frameworks during ECL process, and constructions of frameworks-based ECL platforms for biosensing. The frameworks-based ECL nanoemitters and the enhancement mechanisms show both theoretical innovation and potential applications in designing ECL biosensing systems.

The critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels-Alder (P-DA) reactions of cyclopentadiene with cyanoethylene derivatives, for which experimental kinetic data are available, have been chosen. A complete linear correlation between the computed activation Gibbs free energies and the GEDT taking place at the polar transition state structures (TSs) is found; the higher the GEDT at the TS, the lower the activation Gibbs free energy. An interacting quantum atoms (IQA) energy partitioning analysis allows establishing a complete linear correlation between the electronic stabilization of the electrophilic ethylene frameworks and the GEDT taking place at the polar TSs. This finding supports Parr’s proposal for the definition of the electrophilicity  index (J. Am. Chem. Soc., 1999, 121, 1922). The present MEDT study allows establishing the critical role of the GEDT in the acceleration of polar reactions, since the electronic stabilization of the electrophilic framework with the electron density gain is greater than the destabilization of the nucleophilic one, making a net favorable electronic contribution to the decrease of the activation energy.

The effects of rare earth Ce on the microstructure and properties of cast pure copper were investigated through thermodynamic calculations, XRD analysis, mechanical testing, metallographic microscopy, and scanning electron microscopy (SEM). The experimental results demonstrate that the reaction between rare earth Ce and oxygen as well as sulfur in copper exhibits a significantly negative Gibbs free energy value, indicating a strong thermodynamic driving force for deoxidation and desulfurization reactions. Ce is capable of removing trace amounts of O and S from copper. Moreover, the maximum solid solubility of Ce in Cu falls within the range of 0.009% to 0.01%. Furthermore, Ce can refine columnar grains while enlarging equiaxed grains in as-cast copper.Upon addition of rare earth Ce, the tensile strength increased by 8.45%, elongation increased by 12.1%, and microhardness rose from 73.5HV to 81.2HV-an increase of 10.5%. Overall, rare earth Ce has been found to enhance both the microstructure and mechanical properties of cast pure copper.

The growing interest in benchtop NMR systems is visible in a vast number of applications in science and industry. Low-field nuclear magnetic resonance (LF-NMR) became an instant in technologies that productions are dependent on the reliable structure identification, grade and purity control, chemical process inspection or reaction monitoring. Beyond the benefits of being cost-, space-, maintenance- and user friendly, insufficient sensitivity and low signal resolution are the main drawbacks, due to which the low-field NMR (LF-NMR) in the fields of organic chemistry and synthesis remains limited to solely academic teaching purposes. Herein, we discuss the possibilities of LF-NMR for the needs of organic chemistry and synthesis on a set of compounds 1-4 achieved as the products of student’s laboratory course and organic derivatives 5-8 that are from our research interests. Chemical structure determination of all compounds 1-8 presented herein was performed using the benchtop-type NMR instrument operating at 60 MHz (Pulsar Oxford Ltd.). Structure of novel compounds 5-7 prepared under the aims of our research was characterized by combined 1H/19LF-NMR and compared with an appropriate high-field NMR data from Bruker Ascend Instrument (400 MHz). Finally, possibilities of the low-field NMR as an analytical tool for the research purposes in the fields of organic chemistry and synthesis are documented on a set of 1H and 2D 1H-1H COSY for azomethine 8.

New furan, thiophene and triazole oximes were synthesized through several-step reaction paths to investigate their potential for development of central nervous systems (CNS)-active and cholinesterase-targeted therapeutics in organophosphorus compound (OP) poisonings. Acute OP poisoning is still a challenge in treating patients despite the development of a large number of oxime compounds that should have the capacity to reactivate acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The activity of these two enzymes, crucial for neurotransmission, are blocked by the OP, which has the consequence of disturbing normal cholinergic nerve signal transduction in the peripheral and CNS, leading to cholinergic crisis. Oximes in use have one or two pyridinium rings and cross the brain–blood barrier poorly due to the quaternary nitrogen. Following our recent study on 2-thienostilbene oximes, in this paper we described the synthesis of 63 heterostilbene derivatives out of which 26 oximes were tested as inhibitors and reactivators of AChE and BChE inhibited by OP nerve agents – sarin and cyclosarin. While the majority of oximes were potent inhibitors of both enzymes in micromolar range, we identified several oximes as BChE or AChE selective inhibitors with a potential for drug development. Moreover, even oximes were poor reactivators of AChE, four heterocyclic derivatives reactivated the cyclosarin-inhibited BChE up to 70%, and cis,trans-5 [2-((Z)-2-(5-((E)-(hydroxyimino)methyl)thiophen-2-yl)vinyl)benzonitrile] had comparable reactivation efficacy to the standard oxime HI-6. In silico analysis and molecular docking studies connected the kinetic data to the structural features of these oximes, and confirmed their productive interactions with the active site of the cyclosarin-inhibited BChE. Based on inhibition and reactivation and their ADMET properties regarding lipophilicity, CNS activity, and hepatotoxicity, these compounds could be considered for further development of CNS-active reactivators in OP poisoning as well as cholinesterase-targeted therapeutics in neurodegenerative diseases like Alzheimer’s and Parkinson’s.

Diarrhea remains one of the leading causes of mortality worldwide, especially among children. Recent epidemiological studies conducted in developing countries identified Shigella species as the most predominant pathogenic bacteria responsible for diarrhea. Antimicrobial therapy is necessary for Shigella infections; however, the rapid emergence of resistance against existing antimicrobials in Shigella spp. poses a serious global health problem. To identify alternative antimicrobial compounds with activity against Shigella species, the pathogens responsible for bacterial diarrhea. In this study, we have applied antibacterial phenotypic screening to identify potent anti-Shigella compounds across a broad chemical diversity, including selected acetaminophen derivatives containing benzothiazoles backbone, and their combination with certain antibiotics. In continuation to our effort in searching potent antimicrobial compounds, we have found this time around that two acetaminophen derivatives containing benzothiazoles backbone (4a and 4b) could inhibit the growth of Shigella flexneri with common MIC value of 12.5 µg/ml. These compounds were established through a time-kill kinetics’ study to be bactericidal. Meanwhile, the 2-aminobenzothiazoles (1a and 1b) used for the synthesis of compounds 4 (a & b) were found to be poorly active (MIC: 100 µg/ml) against this pathogen. Combination studies of 4a and 4b with the least susceptible antibiotics (ceftriaxone and cotrimoxazole) demonstrated synergistic anti-Shigella activity. The present study demonstrates that the azobenzothiazole dyes 4 (a & b) can be repurposed as potential anti-Shigella compounds, which can serve as scaffolds for the development of new agents against infectious diarrhea caused by Shigella and other enteric pathogens, especially in developing countries.

Among the various types of gas sensors, the chemoresistive gas sensors based on metal oxides are considered the most attractive ones due to their simple operation, low costs and miniaturization. Thin films of V2O5 undoped and doped with TiO2 were studied as nitrogen dioxide, methane and hydrogen sensors. The experimental kinetics of the electrical conductivity changes due to introduction and removal of gas on metal oxide gas sensors were successfully explained in terms of the Langmuir adsorption theory.

New dimers of selected dipyridothiazines with an m-xylene linker have been designed, synthesized and characterized. Their structure was identified using 1H and 13C NMR as well as 2D NMR techniques (COSY, ROESY, HSQC and HMBC experiments) and HR MS spectrometry. The compounds were subjected to preliminary in silico biological profile tests using the Way2Drug server and analysis of the probable cytotoxic effect on various cancer cell lines. Preliminary in vitro cytotoxicity tests were performed against normal cell lines (HaCaT) and five cancer cell lines (SW480, SW620, MDA-MB-231, A-549, LN-229) showing moderate activity. An analysis of the structure-activity relationship was performed.

The reaction of berberine derivatives containing at O-9 position N,N-disubstituted acetamide fragments with sodium borohydride in methanol at 0 °C leads to a mild reduction of the "C" cycle with the formation of corresponding tetrahydroberberine derivatives with moderate to good yields.

The exponential growth of biomedical data in recent years urged the application of numerous machine learning techniques to address emerging problems in biology and clinical research. By enabling automatic feature extraction, selection and generation of predictive models, these methods can be used to efficiently study complex biological systems. Machine learning techniques are frequently integrated with bioinformatic methods, as well as curated databases and biological networks, to enhance training and validation, identify the best interpretable features, and enable feature and model investigation. Here, we review recently developed methods that incorporate machine learning within the same framework with techniques from molecular evolution, protein structure analysis, systems biology and disease genomics. We outline the challenges posed for machine learning, and in particular, deep learning in biomedicine and suggest unique opportunities for machine learning techniques integrated with established bioinformatics approaches to overcome some of these challenges.

The Rosetta software suite for macromolecular modeling, docking, and design is widely used in pharmaceutical, industrial, academic, non-profit, and government laboratories. Considering its broad modeling capabilities, Rosetta consistently ranks highly when compared to other leading methods created for highly specialized protein modeling and design tasks. Developed for over two decades by a global community of scientists at more than 60 institutions, Rosetta has undergone multiple refactorings, and now comprises over three million lines of code. Here we discuss the methods developed in the last five years, involving the latest protocols for structure prediction, protein–protein and protein–small molecule docking, protein structure and interface design, loop modeling, the incorporation of various types of experimental data, and modeling of peptides, antibodies and other proteins in the immune system, nucleic acids, non-standard amino acids, carbohydrates, and membrane proteins. We briefly discuss improvements to the energy function, user interfaces, and usability of the ­­software. Rosetta is available at www.rosettacommons.org.

I review previous attempts, including recent ones, to introduce technical aspects of digital information and computation into the discussion of ethics. I survey some limitations and advantages of these attempts to produce guiding principles at different scales. In particular, I briefly introduce and discuss questions, approaches, challenges, and limitations based on, or related to, simulation, information theory, integrated information, computer simulation, intractability, algorithmic complexity, and measures of computational organisation and sophistication. I discuss and propose a set of features that ethical frameworks must possess in order to be considered well-grounded, both in theoretical and methodological terms. I will show that while global ethical frameworks that are uncomputable are desirable because they provide non-teleological direction and open-ended meaning, constrained versions should be able to provide guidelines at more local and immediate time scales. In connection to the ethics of artificial intelligence, one point that must be underscored about computational approaches is that (General) AI should only embrace an ethical framework that we humans are willing to adopt. I think that such a framework is possible, taking the form of a general and universal (in the sense of computation) framework built from first computational principles.

In this research the efficiency of degradation of different organic contaminant classes, including pesticides (tembotrione, clomazone), pharmaceuticals (ciprofloxacin, 17α-ethinyl estradiol) and mycotoxins (zearalenone, deoxynivalenol, fumonisin B1), by subcritical water treatment, was studied in model systems. All experiments were conducted in a house-made batch type pilot reactor. The research was focused on the optimization of the treatment parameters by using moderate treatment conditions. Optimization of the remediation processes of water contaminated with 17α-ethinyl estradiol, tembotrione, clomazone, ciprofloxacin, was conducted by testing different homogeneous and heterogeneous catalysts, as well as different gas atmospheres (nitrogen and carbon-dioxide) for pressurization of the process system. Mycotoxins in water were degraded without catalysts and all experiments were conducted in nitrogen atmosphere. Optimization was conducted by defining the optimal combination of the treatment temperature and time, oriented towards energy saving and minimization of the technical requirements. The degradation efficiency in all tested samples was determined by HPLC analysis.

Semisolid casting can provide excellent castings, but the nature of the pore-forming mechanisms has not been properly clarified. In the current communication, it was suggested that hydrogen precipitated during slurry making might have a decisive role in the formation of both gas and shrinkage porosity. Intensive stirring at the end of the slurry making process may act as a degassing step. Without the intense stirring, structures of primary slurry particles form around the hydrogen pores, strongly affecting pore formation and feeding during the intensification stage.

Organic electrophoretic coatings have gained significant attention due to their ability to provide a uniform and controlled coating thickness, high coating adhesion, and excellent corrosion protection properties. In this work, to investigate the aging behaviors of an organic electrophoretic coating for magnesium alloys, water absorption kinetics curves of the coatings after immersion in 3.5 wt.% NaCl at 20℃ and 40℃ were measured, and parameters such as the saturated water absorption and saturation time of the free film coatings were fitted to determine the densification evolution of the organic coatings. A tensile test was used to test the tensile strength of the organic coating during service to determine the evolution of the strength and toughness of the organic coating. The evolution of wet adhesion of organic coatings with service time was tested by ASTM D4541-02. The impedance spectra of the organic coatings under the above conditions were detected by EIS, and finally, the failure behavior of the organic coatings under immersion was analyzed.

Heavy metal pollution poses a significant threat to ecosystems and human health worldwide. In response to this pressing issue, bioremediation has emerged as a promising approach for mitigating contamination. This paper adopts a bibliographic method to explore the key techniques and applications of bioremediation. Furthermore, we delve into the most prominent threats to human environmental health and the corresponding remediation methods. Additionally, we discuss the future trajectory of bioremediation research, with a particular focus on the integration of big data and machine learning technologies. These advanced methodologies hold great potential for enhancing the effectiveness and efficiency of environmental remediation efforts in the face of escalating pollution challenges.

In this paper we present magnetoelectric properties of metal/metal-oxide/metal junctions. We use Ti and Fe as metallic layers separated by the porous metal-oxides of iron or titanium formed with the anodization method. This allowed to prepare double junctions with at least one ferromagnetic layer. Here we show magnetoresistance and current-voltage characteristics of the junctions together with their magnetic characteristics. We found positive or negative magnetoresistance depending on junction composition. We discuss also the nature of differential resistance calculated from I-V characteristics. Our findings show that the strongest influence on observed behaviour has a top metallic layer and the interface between this layer and anodized oxide where strong interatomic diffusion is expected.

Cu₆Sn₅ whiskers precipitated in Sn3.0Ag0.5Cu/Cu interconnection in concentrator silicon solar cells solder layer were found and investigated after reflow soldering and during aging. Ag₃Sn fibers can be observed around Cu₆Sn₅ whiskers in the matrix microstructure, which can play an active effect on the reliability of interconnection. Different morphologies of Cu₆Sn₅ whiskers can be observed, and hexagonal rod structure is the main morphology of Cu₆Sn₅ whiskers. A hollow structure can be observed in hexagonal Cu₆Sn₅ whiskers, and a screw dislocation mechanism was used to represent the Cu₆Sn₅ growth. Based on mechanical property testing and finite element simulation, Cu₆Sn₅ whiskers were regarded as having a negative effect on the durability of Sn3.0Ag0.5Cu/Cu interconnection in concentrator silicon solar cells solder layer.

Clean production of renewable fuels is a great challenge of our scientific community. Iridium complexes have demonstrated a superior catalytic activity in the water oxidation (WO) reaction, which is a crucial step in water splitting process. Herein we have used a defective zirconium MOF with UiO-66 structure as support of a highly active Ir complex based on EDTA with formula [Ir(HEDTA)Cl]Na. The defects are induced by the partial substitution of tereftalic acid with smaller formiate groups. Anchoring of the complex occurs through a post-synthetic exchange of formiate anions, coordinated at the zirconium clusters of the MOF, with the free carboxylate group of the [Ir(HEDTA)Cl]-complex. The modified material was tested as heterogenous catalyst for the WO reaction by using Cerium Ammonium Nitrate as sacrificial agent. Although TOF and TON values are comparable to those of other iridium heterogenized catalysts, the MOF exhibits iridium leaching not limited at the first catalytic run, as usually observed, suggesting a lack of stability of the hybrid system under strong oxidative conditions.

This study provides an in-depth review of the available literature on metal composite material machining, focusing on traditional machining operations such as turning, milling, shaping, drilling, and grinding. The motivation for the study is that this composite type has emerged as a vital material in applications requiring functionality, resilience, cost-effective operation, low consumption of energy and lightweight. Despite its superior characteristics, the manufacturing complexity and poor machinability of metal matrix composites have been the primary barriers to its adoption. Nevertheless, there is a reduction of exceptional efficiency, increase in surface roughness, tool wear and so on in metal matrix composites throughout machining. As a result, this review gives a comprehensive investigation of metal matrix composite machining and effect on process parameters and procedures. Furthermore, this study distinguishes metal matrix composites towards sustainable manufacturing and the metals employed by the researchers, as well as the gaps discovered for future recommendations in metal-based composites.

This work reviews three frameworks for responding to economic disruption: risk mitigation, systemic recovery, and economic resilience. Specifically, by reviewing extant literature in economics, communication, and other disciplines, we argue that current approaches to understanding resilience in economics largely fail to address ongoing and emergent disruptions to the economic and social world. In response to these issues, we work to synthesize economic frameworks and the communication theory of resilience to forward a new way of examining the overlapping questions of economic resilience related to metatheoretical commitments, analytic contexts, and implications for theory, method, and practice.

The targeted compounds in this research, resveratrol analogs 1–14 were synthesized as mixtures of isomers by the Wittig reaction using heterocyclic triphenylphosphonium salts and various benzaldehydes. The planned compounds were those possessing the trans-configuration as the biologically active trans-resveratrol. The pure isomers were obtained by repeated column chromatography in various isolated yields depending on the heteroaromatic ring. It was found that butyrylcholinesterase (BChE) was more sensitive to the heteroaromatic resveratrol analogs than acetylcholinesterase (AChE), except for 6, the methylated thiophene derivative with chlorine, which showed equal inhibition toward both enzymes. Compounds 5 and 8 achieved the highest BChE inhibition with IC50 values of 22.9 and 24.8 μM, respectively. The same as with AChE and BChE, methylated thiophene subunits of resveratrol analogs showed better enzyme inhibition than unmethylated ones. Two antioxidant spectrophotometric methods, DPPH and CUPRAC, were applied to determine the antioxidant potential of new heteroaromatic resveratrol analogs. Molecular docking of these compounds was conducted to visualize the ligand-active site complexes' structure and identify the non-covalent interactions responsible for the complex's stability, which influence the inhibitory potential. As ADME properties are crucial in developing drug product formulations, they have also been addressed in this work. The potential genotoxicity is evaluated by in silico studies for all compounds synthesized.

SOC stock (SOCS) changes caused by land use changes are still unclear, and understanding this response is essential for many environmental policies and land management practices. In this study, we investigated the temporal-spatial and vertical distribution characteristics of SOCS on the Western Sichuan Plateau (WSP) using the sparrow search algorithm-random forest regression (SSA-RFR) models with excellent model applicability and accuracy. The temporal-spatial varia-tions in the SOCS were modeled using 1080 soil samples and a set of nine environmental covariates. We analyzed the effect of land use changes on the SOCS on the WSP. The total SOCS increased by 18.03 Tg C from 1990 to 2020. The results of this study confirmed that the SOCS in the study area has increased significantly since 2010, with an increase of 27.88 Tg C compared to the total SOCS in 2010. We found that the spatial distribution of the SOCS increased from southeast to northwest, and the vertical distribution of the SOCS in the study area decreased with increasing soil depth. Forest and grassland are the main sources of SOCS, the total SOCS in the forest and grassland accounted for 37.53 and 59.39% of the total SOC pool in 2020, respectively. Expansion of the wetlands, forest, and grassland areas could increase SOCS in the study area.

(1) Background: In this work, a series of benzimidazole derivatives containing colchicine-like and cathechol-like moieties with methyl group substitution in the benzimidazole ring were evaluated for their in vitro antiproliferative, pro-apoptotic and antioxidative activity against highly invasive breast cancer cell line MDA-MB-231 and related impairment of tubulin dynamics; (2) Methods: MTT assay was used to evaluate the antiproliferative activity. In vitro tubulin polymerization assay as well as docking analysis was applied to prove the alterations in tubulin polymerization. Immunofluorescent and DAPI staining reveal the pro-apoptotic potential of benzimidazole derivatives and the effect on tubulin’s dynamics in living cells. The antioxidant activity was evaluated by scavenging of H2O2 and hypochlorite ion and ortho-phenanthroline tests; (3) Results: The compounds containing colchicine-like moiety displayed significant growth inhibitory effect against cancer cell line as was highlighted the role of methyl functional group on the tubulin aggregation and blockage of mitosis. All compounds showed an ability to scavenge H2O2, while the compounds with cathecol-like moiety were more effective against hypochlorite ion and chelation of iron; (4) Conclusions: The benzimidazole derivative containing colchicine-like moiety and methyl group substitution in benzimidazole ring is a potential antiproliferative and microtubule destabilizing agent.

Honey is a sweet substance extensively consumed in the world for its nutritional and healthy properties. However, residues of pesticides and environmental contaminants can compromise its quality. For this reason, the physicochemical parameters, and the organic contamination of monofloral and multifloral honeys from three regions of Algeria (Tiaret, Laghouat and Tindouf) were monitored to evaluate the quality of honey and the safety for consumers. In general, the results obtained from the physicochemical analyses were in line with the EU standards. In terms of contamination, pesticides authorised and used in Algerian agriculture (matalaxyl-M and cyromazine), as well as banned pesticide (carbaryl), were found in almost all the samples. However, only the concentration of cyromazine was higher than the relative EU maximum residue levels. PCB 180, PCB 189, anthracene, fluorene and phenanthrene were mainly detected. All the honeys show traces of DiBP, DBP, DEHP and DEHT, but no traces of bisphenols were found. Moreover, the dietary exposure assessment shows that a small amount of Algerian honey can be safely consumed. Overall, data from this study should motivate the Algerian government to enhance their monitoring activities in beekeeping and to find solutions for implementing more sustainable agricultural practices harmonizing with the international legislation.

The lexical analysis of seminal policy-to-diplomacy documents from the socio-environmental discourse of the last fifty year agendas allowed examining the evolution of five themes: resources/waste, pollution, social and economic development, justice, and health. Contextual affinities were strongest between resources, pollution, and health and are linked to societal trends and pressures. On those grounds, the central role of resource stewardship according to nature’s physical limits is highlighted, and dedicated concepts, analytical frameworks, and methodologies with different degrees of sustainability are analyzed. To reframe the identified social and economic problems, the work proposes criteria and choices that (1) allow to compare the dynamics of socioecological states across the planet, (2) help matching the pace of socioecological change by addressing path dependencies through participation and engagement of communities, and (3) enable stakeholders to make trade-offs and take decisions in specific social, economic, political, and cultural contexts. The prioritization of resource justice and responsibility becomes a societal project : from Wellfare State to commonfare communities.

Infertility” is a condition defined by the failure to establish a clinical pregnancy after 12 months of regular, unprotected sexual intercourse or due to an impairment of a person’s capacity to reproduce either as an individual or with his/her partner’. The authors have set out to succinctly investigate, explore and assess infertility treatments harnessing the potential of stem cells to effectively and safely treat infertility, in addition to the legal and regulatory complexities at the heart of stem cell research, with an overview of the legislative state of affairs in six major European countries. In couples who cannot benefit from assisted reproductive technologies (ART) to treat their infertility, stem cells-based approaches have been shown to be a highly promising approach. Nonetheless, lingering ethical and immunological uncertainties require more conclusive findings and data before such treatment avenues can become mainstream and applied large scale. The isolation of human embryonic stem cells (ESCs) is ethically controversial, since their collection involves the destruction of human embryonic tissue. Overall, stem cell research has resulted in important new breakthroughs in the treatment of infertility. The effort to untangle the complex web of ethical and legal issues associated with such therapeutic approaches will have to rely on evidence-based, broadly shared standards, guidelines and best practices to make sure that the procreative rights of patients can be effectively reconciled with the core values at the heart of medical ethics.

Advanced Finite Element (FE) modeling and simulations were performed on vehicular crashes into a Three-bar Metal Bridge Rail (TMBR). The FE models of a sedan, a pickup truck, and a TMBR section were adopted in the crash simulations subject to Manual for Assessing Safety Hardware (MASH) Test Level 2 (TL-2) and Test Level 3 (TL-3) requirements. The test vehicle models were first validated using full-scale physical crash tests conducted on a two-bar metal bridge using a sedan and a pickup truck with similar overall physical properties and sizes to their respective vehicles used in the simulations. The validated vehicular models were then used to evaluate the crash performance of the TMBR using MASH Evaluation Criteria for structural adequacy, occupant risk, and post-impact trajectory. The TMBR met all MASH TL-2 requirements but failed to meet the MASH TL-3 Criteria H and N requirements when impacted by the sedan. The TMBR was also evaluated under in-service conditions (behind a 1.52-m wide sidewalk) and impacted by the sedan under MASH TL-3 conditions. The simulation results showed that the TMBR behind a sidewalk met all safety requirements except for the occupant impact velocity in the longitudinal direction, which exceeded the MASH limit by 3.93%.

Retinoblastoma (Rb) is a rare cancer that nonetheless represents the most common ocular malignancy in children. Rb exists as familiar and sporadic cancer and the increasing incidence of the sporadic one and its pathogenesis is mostly unknown. To date the management of retinoblastoma requires intensive chemotherapy and sometimes invasive surgery in order to preserve vision and quality of life in Rb patients. The discovery of the epigenetic nature of non-hereditable/sporadic Rb led to the development of high-throughput precision investigation strategies for the study of its epigenetic landscape. Here we investigated the effect of the demethylating 5-Aza-2’- deoxycytidine (Decitabine; DAC) agent on preclinical models to assess its possible use as anti-cancer drug in the treatment of Rb patients. We found that DAC treatment induced cell cycle arrest and apoptosis in Weri-Rb-1 cells. We investigated the variation of differential gene expression profile in Rb cells in relation to time of exposure to DAC with respect to controls. Network map analysis evidences 15 hub/driver genes, which share pathways of regulation of TNF-, FAS-, p53-dependent apoptotic signaling and NF-kB pro-survival pathways. Furthermore, a computing expression profile analysis of publicly available datasets of patients’ primary tumors and normal retina cell-derived organoids vs WeriWeri-Rb-1 DEGs depicted the relevancy of these 15 hub genes on retinoblastoma genesis. The antiproliferative effect of DAC treatment on Rb was confirmed in vivo, both in subcutaneous xenograft and orthotopic models also showing the changes the gene methylation status in treated Weri-Rb-1, shedding a new light on the reprogramming antiproliferative dynamics induced by the epigenetic therapy and on the role of this therapeutic approach to spare children sight and life.

This paper presents a review on numerical and experimental methods to predict fracture of ad-vanced high strength steels (AHSS). AHSS are widely processed through sheet metal forming processes. Although being an excellent choice when lightweight, high strength and ductility are critical factors, their multi-phase microstructure accentuates forming challenges. To accurately model forming behavior, necking based failure criteria as well as direct fracture models require improvements. As a necking based failure model, the conventional forming limit diagram/curve (FLD/FLC) presents limitations such as in estimating direct fracture (surface cracks, edge cracks, shear cracks), as well as deformation histories under nonlinear strain paths. Thus, significant re-search efforts are being made towards the needs of advanced fracture constitutive models capa-ble of predicting fracture scenarios without necking, more frequently observed in the realm of AHSS. Scientific community research is divided into several directions aiming at improving the forming and fracture behavior accuracy of parts subjected to sheet metal forming operations. In this review paper, a comprehensive overview on ductile fracture modeling is presented. Firstly, the FLD/FLC limitations modeling fracture behavior in sheet metal forming operations are stud-ied. Followed by the recent trends in constitutive material modeling. Afterwards, material char-acterization methods advancements to cover a broad range of stress states are comprised. Final-ly, damage and fracture models predicting failure in AHSS are investigated. This review paper supplies relevant information on the current issues the sheet metal forming community is chal-lenged with due to the trend towards AHSS employment in the automotive industry.

To investigate the effects of organic fertilizer combined with reduced chemical fertilizer on radish yield, quality, and soil environment in high mountainous areas (elevation: 1800 m), and to mitigate the environmental pollution caused by excessive use of chemical fertilizers. The field trial was conducted to study the effects of different fertilizer treatments. (Control:local fertilizer application rate: 375 kg·hm² reduction in chemical fertilizer + 4500 kg·hm² organic fertilizer; T1:12% reduction in chemical fertilizer + 4500 kg·hm² organic fertilizer; T2:20% reduction in chemical fertilizer + 4500 kg·hm² of organic fertilizer; T3:28% reduction in chemical fertilizer + 4500 kg·hm² organic fertilizer). Four different fertilizer ratios were studied to assess their impacts on radish quality, yield, and soil environment. The findings showed that T2 significantly increased radish yield by 12.92%. Moreover, it led to significant improvements in the content of vitamin C, soluble sugars, soluble solids, soluble proteins, titratable acidity, and glucosinolates, which increased by 10.62%, 2.15%, 50.00%, 26.90%, 43.90%, and 44.57%, respectively. Treatment T2 also significantly increased soil nutrient content, with a 7.69% and 14.29% increase in total nitrogen and total phosphorus content compared to the control (Control) treatment, and a significant reduction of 21.64% in soil bulk density . T2 treatment significantly enhanced soil urease activity, sucrase activity, alkaline phosphatase activity, and catalase activity, showing an improvement of 28.97%, 55.92%, 52.08%, and 17.47% compared to the control, respectively (p&lt;0.05). Moreover, treatment T2 resulted in a relative abundance increase of 12.25% and 10.43% in Proteobacteria and Actinobacteria respectively. Thus, the combined application of T2:20% reduction in chemical fertilizer + 4500 kg·hm² of organic fertilizer improved the quality and yield of radish while optimizing the soil environment. T2 effectively promoted radish growth, enhanced radish yield and quality, and improved the soil environment.

The article presents the results of studies aimed to identify the effect of foliar treatments of winter wheat, sugar beets and soybeans with mineral and bioorganic fertilizers. Their positive effect on increasing the concentration of mineral forms of nitrogen in soil was revealed. The crop types have a greater influence on the size of nitrous oxide emissions: in winter wheat crops - 679 µg/m3, soybeans - 637.2 µg/m3, sugar beets - 576.8 µg/m3. The amounts of nitrous oxide emissions were lower in the variants without the use of phosphorus-potassium fertilizers. The Ruter AA fertilizer showed the greatest efficiency on winter wheat crops - 42.7 c/ha. Soybean grain yield of 44.2 c/ha was also achieved by using Ruter AA, as well as Geo-humate together with phosphorus-potassium fertilizers. On the background of the actual supply of phosphorus and potassium, maximum yield was obtained when using N30 on the leaf - 39.3 c/ha. Foliar feeding ensured a yield of sugar beet root crops of up to 67.1-77.4 c/ha on the backdrop of the application of phosphorus-potassium fertilizers with the advantage of using Amino turbo. The largest yield of sugar beet roots without use of mineral phosphorus and potassium was ensured by N30 treatment of the leaf in the phases of 4-6 and 8 leaves - 63.2 t/ha. Of the organo-mineral fertilizers and biostimulants, the best result was shown by the use of Ruter A - 62.6 t/ha. We believe that foliar feeding of crops can be a sustainable farming method that can increase crop yields and reduce N2O emissions.

This letter presents a dual-frequency terahertz amplitude modulator based on a cross-shaped structure and U-shaped metal patches. Its structural unit is a typical metal-substrate structure. The top metal consists of a cross-shaped structure and U-shaped metal patches, and the bottom substrate layer is made of quartz. Amplitude modulation is achieved by adjusting the temperature of the vanadium dioxide (VO2) patches. The modulation depth can be approximately 75%. The mechanism of the resonance frequency is explained by the equivalent circuit model. The proposed structure shows good amplitude modulation capability at different incidence and azimuth angles by changing the location of the VO2 patches. The dual-frequency terahertz amplitude modulator can be used in terahertz communication, imaging, etc.

Particulate organic carbon (POC) is a pivotal component within the marine carbon cycle, actively involved in diverse biogeochemical processes. This study focuses on Mediterranean as the research region, selecting the most influential factors from 47 potential ones influencing surface POC. Using geographic detector for factor identification, ten primary influencers were identified. Preliminarily optimized random forest (BRF), backpropagation neural network, adaptive boosting, and extreme gradient boosting were utilized to construct POC assessment models. Notably BRF exhibited superior performance in estimating the sea surface POC. Further optimization of RF using the tuneRanger R package resulted in R² of 0.868, mean squared error of 1.119 (mg/m³) ², and mean absolute error of 1.041 (mg/m³). Surface POC concentrations in the Mediterranean for May and June 2017 were estimated. Spatial distribution analysis unveiled higher concentrations in the west, lower in the east, higher in the north, lower in the south, with higher levels near the coast and lower far from the coast. Additionally, the study deliberated on the impact of human activities on surface POC in the Mediterranean. This research contributes a high-precision method for satellite retrieval of surface POC concentrations in the Mediterranean, thereby enriching the understanding of POC dynamics in the area.

Quasi-solid composited electrolytes were produced by LiFSI initiated polymerized poly-(Dioxolane) (PDOL) with garnet-LLZO (Li7La2Zr3O12) nanofibers and used in lithium-metal batteries. Linear sweep voltammetry shows that the initial oxidation voltage of 4.6 V for Gel-10% (G10, 10% wt. LLZO in PDOL) vs Li/Li+. EIS test of stainless steel// stainless steel symmetric cells for Gel-1% (G1), Gel-5% (G5) and Gel-10% (G10) show ion conductivity (5*10-5 S/cm). Li/G10/Li symmetric cells have stable stripping-plating cycling performance over 1300 hours continuously with the current density of 0.1 mA/cm2 at 25 oC, indicating a good interface contact and stable lithium-ion transport pathway through the composite electrolytes. LFP/G10/Li batteries have stable charge-discharge plateau, low polarization voltage of 0.07-volt, energy efficiency of 95% and coulombic efficiency of ~99% at current density of 26.3 mA/g at 25 oC for over 100 cycles.

Promoting organic foods production and consumption contributes to accomplishing United Nations sustainable development goals. Social commerce provides a promising opportunity to develop the organic food industry. However, there is limited knowledge regarding customer behaviors in relation to purchasing organic foods via social commerce platforms. Therefore, this study expanded upon the unified theory of acceptance and use of technology (UTAUT-2) to develop a comprehensive model that explains how customers' social commerce trust and behavioral intentions to purchase organic foods using Instagram social commerce affect their purchasing behaviors. The research model was analyzed by employing partial least squares structural equation modeling (PLS-SEM) for the data collected from a quantitative survey of 410 customers who used Instagram to purchase organic foods in Iran. The results revealed that facilitated purchasing conditions, hedonic motivations, social influence, rating and reviews, and influencers’ endorsements increase customers' purchase intentions. Moreover, Instagram’s recommendations and referrals, influencers’ endorsements, as well as social influence boost customers' trust in the social commerce platform. Eventually, it was determined that influencers’ endorsements, social commerce trust, and purchase intention determine a customer’s organic foods purchasing behaviors. This research provides valuable insights for organic food marketers to optimize their social commerce strategies.

Hydrogen storage in general is an indispensable prerequisite for the introduction of a hydrogen energy based infrastructure. In this respect, high-pressure metal hydride (MH) tank systems appear to be one of the most promising hydrogen storage techniques for automotive applications using proton exchange membrane (PEM) fuel cells. These systems bear the potential of achieving a beneficial compromise of comparably large volumetric storage density, a wide working temperature range, comparably low liberation of heat, and increased safety. The debatable term unstable metal hydride stands in the literature short for metal hydrides with high dissociation pressure at comparably low temperature. Such compounds may help to improve the merit of high-pressure MH tank systems. Consequently, in the last few years, some materials for possible on-board applications in such tank systems have been developed. This review summarizes the state-of-the-art developments of these metal hydrides, mainly including intermetallic compounds and complex hydrides and gives some guidelines for future developments. Since typical laboratory hydrogen uptake measurements are limited to 200 bar, a possible threshold for defining unstable hydrides could be a value of their equilibrium pressure of peq > 200 bar for T < 100°C. However, these values would mark a technological future target and most current materials, and those reported in this review, do not fulfill these requirements and need to be seen as current stages of development towards the intended target. For each of the aforementioned categories in the review, special care was taken not only to covers the pioneering and classical research, but also to portrait the current status and latest advances. For intermetallic compounds, key aspects focus on the influence of partial substitution on absorption/desorption plateau pressure, hydrogen storage capacity and hysteresis properties. For complex hydrides, the preparation procedures, thermodynamics and theoretical calculation are presented. Besides, challenges, perspectives, and development tendency of this field are also discussed.

A field experiment was conducted for 2 years in Green Tea Laboratory of Saitama Prefectural Agriculture and Forestry Research Center, Iruma, Saitama, Japan from March 2014 to December 2015. Controlled release fertilizers (CRF) or organic fertilizers (ORG) which is the mixture of chicken manure and oil cakewere applied with the amount of 450 kg N ha^-1 yr^-1 in 2014 and 397 kg N ha^-1 yr^-1 in 2015. Nitrous oxide (N₂O) emissionsfrom soil in green tea fields were measured by closed chamber method. The results showed that CRF has significantly lower N₂O compared to ORG. The cumulative N₂O emissions from CRF accounted for 51% of N₂O emissions from ORG fields and 138% of control with no fertilizer treatment. The N₂O flux from the row was higher than that of under the canopy, since fertilizer were applied on the row. However the total emission from the area between the rows was lower than that under the canopy because of the area ratio of row and canopy was 1:5.

Surface initiated atom transfer radical polymerization (SI-ATRP) is one of the most versatile technique to modify the surface properties of material. Recent developed metal free SI-ATRP makes such technique more widely applicable. Herein photo-induced metal-free SI-ATRP of methacrylates, such as methyl methacrylate, N-isopropanyl acrylamide, and N,N- dimethylaminoethyl methacrylate, on the surface of SBA-15 was reported to fabricate organic-inorganic hybrid materials. SBA-15 based polymeric composite with adjustable graft ratio was obtained. The structure evolution during the SI-ATRP modification of SBA-15 was monitored and verified by FT-IR, XPS, TGA, BET, and TEM. The obtained polymeric composite showed enhanced adsorption ability for the model compound toluene in aqueous. This procedure provides a low cost, ready availability, and facile modification way to synthesize the polymeric composites without the contamination of metal.

We report that ethanol, used together with water, plays a crucial role in tuning the structures of a zirconium-based Metal-Organic Framework, the 12-connected MOF-801, and the possible mechanisms of this modulating effect. By employing the cosolvent system of ethanol and water just under room temperature without the presence of a monotopic carboxylic acid as the modulator, MOF-801 in various morphologies of different sizes can be synthesized. The linear correlation between the ethanol/water ratio and the crystal sizes is also demonstrated. The growth mechanism is mainly explained by ethanol’s binding with the metal ion clusters and the Marangoni Flow Effect. Ethanol competes with the linker molecules in coordinating with the Zr metal clusters, a role similar to that of the modulators. The Marangoni Flow Effect, which dominates at a certain solvent ratio, further promotes the 1-D alignment of the MOF-801 crystals.

In this work, two plasmonic structures with two different periodic nanostructures (nanodisk and nanostrip arrays) separated from the gold layer by an ultrathin dielectric Al2O3 layer are proposed, and their optical properties are simulated as 3-dimensional models using COMSOL Multiphysics software tool. The optical responses, such as the amplification of the electric field and the scattering, absorption and extinction cross sections of the two structures, are investigated and compared. The results show that both structures show strong field enhancement in their gap layer, and the structure with the periodic array of metal nanodisks shows stronger field enhancement and larger absorption, extinction, and scattering cross sections in its dipole resonance wavelength, which is defined as a bright plasmonic mode. In addition, some weaker resonant modes are observed for both structures and the reason for their generation is dis-cussed. The analysis of different possible modes in such structures is crucial for their application in various fields.

Magnetogenetics emerges as a transformative approach for modulating cellular signaling pathways through the strategic application of magnetic fields and nanoparticles. This technique leverages the unique properties of magnetic nanoparticles (MNPs) to induce mechanical or thermal stimuli within cells, facilitating the activation of mechano- and thermosensitive proteins without the need for traditional ligand-receptor interactions. Unlike traditional modalities that often require invasive interventions and lack precision in targeting specific cellular functions, magnetogenetics offers a non-invasive alternative with the capacity for deep tissue penetration and the potential for targeting a broad spectrum of cellular processes. This review underscores magnetogenetics' broad applicability, from steering stem cell differentiation to manipulating neuronal activity and immune responses, highlighting its potential in regenerative medicine, neuroscience, and cancer therapy. Furthermore, the review explores the challenges and future directions of magnetogenetics, including the development of genetically programmed magnetic nanoparticles and the integration of magnetic field-sensitive cells for in vivo applications. Magnetogenetics stands at the forefront of cellular manipulation technologies, offering novel insights into cellular signaling and opening new avenues for therapeutic interventions.