Recent publications
The hypothesis posits that the synergistic combination of morpholinium cations and specific aromatic counterions in surface-active ionic liquids (SAILs) will markedly impact the micellization behavior and aggregation properties of these SAILs, potentially resulting in heightened surface activity and distinctive structural features. Two SAILs, N-dodecyl-N-methylmorpholinium benzenesulfonate ([C12mmor][BS]) and N-dodecyl-N-methylmorpholinium β-naphthalenesulfonate ([C12mmor][β-Nsa]), were synthesized through quaternization and metathesis reactions. Surface tension (ST) and electrical conductivity measurements were employed to ascertain the critical micelle concentration (CMC), micellization behavior, and various thermodynamic and interfacial parameters of the SAILs. Subsequently, their structural properties were examined using a small-angle neutron scattering (SANS) instrument at multiple concentrations to identify distinctive features in the micelle structures. The intermolecular interactions were studied using density functional theory (DFT) calculations. The findings reveal substantial influences of aromatic anions on micellization behavior and aggregation properties of SAILs compared with conventional surfactants and imidazolium-based SAILs, with discernible structural characteristics elucidated through SANS where a formation of prolate ellipsoidal micelles of different size were observed. This research underscores the potential applications of these innovative ionic liquids in drug development and delivery, emphasizing the crucial role of counterion and headgroup selection in tailoring their properties for specific purposes.
Graphical Abstract
Recently, there has been a significant fall in the Chinese economy, which could cause by many reasons, but this paper will mainly discuss this problem in the context of the ageing group and the economic active population. This paper mainly used research methods by viewing what the previous people have done, concluding their points and pointing out what they have done wrong or can be done better, also includes the investigators personal view of the ageing crises of China. Based on the study so far, it can be concluded that China has reached its inflection of population and further development, where China now has caught into a dilemma where if developing the capital sides the labor will go worsen whereas if China starts to realize the problem of labor and starts to cure it, then the capital will be left behind. In the future, Chinas population will be decreasing as has been predicted by various resources, but what investigator thinks that China might need to slow down the steps of catching up, take a certain period to find out the equilibrium point of China and then decide the future development. For the low fertility rate, the best thing is to raise the social benefits to encourage childbearing.
Of the five human antibody isotypes, the function of IgD is the least well‐understood, although various studies point to a role for IgD in mucosal immunity. IgD is also the least well structurally characterized isotype. Until recently, when crystal structures were reported for the IgD Fab, the only structural information available was a model for intact IgD based on solution scattering data. We now report the crystal structure of human IgD‐Fc solved at 3.0 Å resolution. Although similar in overall architecture to other human isotypes, IgD‐Fc displays markedly different orientations of the Cδ3 domains in the Cδ3 domain dimer and the lowest interface area of all the human isotypes. The nature of the residues that form the dimer interface also differs from those conserved in the other isotypes. By contrast, the interface between the Cδ2 and Cδ3 domains in each chain is the largest among the human isotypes. This interface is characterized by two binding pockets, not seen in other isotypes, and points to a potential role for the Cδ2/Cδ3 interface in stabilizing the IgD‐Fc homodimer. We investigated the thermal stability of IgD‐Fc, alone and in the context of an intact IgD antibody, and found that IgD‐Fc unfolds in a single transition. Human IgD‐Fc clearly has unique structural features not seen in the other human isotypes, and comparison with other mammalian IgD sequences suggests that these unique features might be widely conserved.
The effect of specimen displacement in X-ray powder diffraction experiments with laboratory diffractometers has been revisited and new expressions have been derived for several commonly used experimental configurations, including Bragg–Brentano parafocusing geometry and flat-plate transmission geometry. The results presented in this work allow the analysis of data from samples with relatively large displacements. This may open the possibility to study samples with dimensions that are difficult to accommodate with the sample-handling capabilities of standard laboratory diffractometers.
The increasing structural complexity and downscaling of modern nanodevices require continuous development of structural characterization techniques that support R&D and manufacturing processes. This work explores the capability of laboratory characterization of periodic planar nanostructures using 3D X-ray standing waves as a promising method for reconstructing atomic profiles of planar nanostructures. The non-destructive nature of this metrology technique makes it highly versatile and particularly suitable for studying various types of samples. Moreover, it eliminates the need for additional sample preparation before use and can achieve sub-nanometre reconstruction resolution using widely available laboratory setups, as demonstrated on a diffractometer equipped with a microfocus X-ray tube with a copper anode.
RNase H-dependent antisense oligonucleotides (gapmer ASOs) represent a class of nucleic acid therapeutics that bind to target RNA to facilitate RNase H-mediated RNA cleavage, thereby regulating the expression of disease-associated proteins. Integrating artificial nucleic acids into gapmer ASOs enhances their therapeutic efficacy. Among these, amido-bridged nucleic acid (AmNA) stands out for its potential to confer high affinity and stability to ASOs. However, a significant challenge in the design of gapmer ASOs incorporating artificial nucleic acids, such as AmNA, is the accurate prediction of their melting temperature (Tm) values. The Tm is a critical parameter for designing effective gapmer ASOs to ensure proper functioning. However, predicting accurate Tm values for oligonucleotides containing artificial nucleic acids remains problematic. We developed a Tm prediction model using a library of AmNA-containing ASOs to address this issue. We measured the Tm values of 157 oligonucleotides through differential scanning calorimetry, enabling the construction of an accurate prediction model. Additionally, molecular dynamics simulations were used to elucidate the molecular mechanisms by which AmNA modifications elevate Tm, thereby informing the design strategies of gapmer ASOs.
Sexual harassment is a pervasive problem that affects individuals in a variety of social contexts, especially in the workplace and public spaces. Researcher has examined the complex phenomenon of women's non-resistance to sexual harassment and explore in depth the psychological, sociocultural and reproductive factors that lead women to not actively oppose or confront sexual harassment. Drawing on both evolutionary and survival perspectives, the paper explores the complex interplay between reproductive strategies, survival motivations, and social norms. Through the survey-based approach, we qualify the relationship between the women's varying responses to sexual harassment and harasser's social-economic status and physical appearance, taking into account scenarios in the workplace, campus, and public spaces. The results showed that women's resistance to sexual harassment changed with the various degrees of social status and appearance of the harasser. The implications of this research extend to understanding gender dynamics, workplace policies, and the social impact of sexual harassment. The study also acknowledges the limitations of sample representation and cultural context, providing avenues for future research on this important and sensitive topic. By revealing the multifaceted nature of non-resistance, it helps to understand womens experiences and decisions more fully in the face of sexual harassment.
This article explores role of the State Duma in shaping the destinies of key political parties, particularly the Constitutional Democratic Party (Kadets) and the Bolsheviks, prior to the Russian Revolutions of 1917. Despite its failure to avert the revolutions, the State Duma was instrumental in shaping the future trajectories of the participating parties. Utilizing a framework that combines power dynamics and historical analysis, the essay scrutinizes the State Duma's role in Russian power dynamics and its impact on the future trajectories of Russian political parties. The essay provides an interpretation of the Kadets' and Bolsheviks' fates through their attitudes, idealism, and interactions with this experimental legislative body.
It is very interesting to notice when we compare the data collected by the Centers for Disease Control and Prevention the main age of getting depression which is from aged 18 to 24 years old is coincidence with the age of getting into a first love from 15 to 21 years old. So there could be a very high chance for youth with depression to face the situation of making decisions about romantic relationships. The problem has formed those people with depression symptoms might be worried about whether there will be an interaction of symptoms and romantic relationships to cause a bad effect on each side. Those worrying about these problems can lead to anxiety for themselves and their partners who fall in love with them. To prove that a healthy relationship can help reduce depression levels, this study anonymously interviews depressed adolescents in romantic relationships and conducts secondary surveys to draw conclusions. Currently there are not too many studies on the effect of love relationships on depression reduction. It hopes that through the results of this study can reduce the anxiety of depressed patients about entering a romantic relationship, and at the same time, they hope to prove that healthy romantic relationship as a caring method to reduce depression can make patients healthier.
With its high penetrating power, neutron activation is particularly well suited for online real-time elemental measurement. Unlike the conventional surface techniques viz. NIR phase analysis, LIBS laser micro-spot sampling or the hazardous radioactive isotopic sources, the D-T PFTNA based CNA (Controlled Neutron Activation) online analyzer—uses an electrical neutron source that can be switched ON and OFF any time. The CNA analyzer comprises a measuring chamber, with attached electrical box which uses digital signal processing technology and an operator interface. The CNA's measuring chamber, equipped with a robust BGO detector to detect gamma is installed around the conveyor belt and analyses the composition of material moving on it. Interfaced with a high-performance automatic system, the CNA not only makes it possible to measure and control the chemical composition of the raw materials but also adapt the manufacturing process. The CNA is widely used to control and optimize various manufacturing processes viz. in thermal power plants, cement manufacturing, mining & metals industry, ore-sorting, battery recycling and waste treatment plants.
We report the development of BioPhysical and Active Learning Screening (BioPALS); a rapid and versatile hit identification protocol combining AI‐powered virtual screening with a GCI‐driven biophysical confirmation workflow. Its application to the BRPF1b bromodomain afforded a range of novel micromolar binders with favorable ADMET properties. In addition to the excellent in silico/in vitro confirmation rate demonstrated with BRPF1b, binding kinetics were determined, and binding topologies predicted for all hits. BioPALS is a lean, data‐rich, and standardized approach to hit identification applicable to a wide range of biological targets.
We report on thesynthesis and structural characterization of a new naproxen salt. In-situheating X-ray diffraction experiment allows us to determine the phase stabilityof the various polymorphic phases. Slow heating rate and repetitive scansstrategy were essential to probe all phases in presence. Contrary to previouslyreported absence of polymorphic forms for naproxen salt, this new salt exhibitsone metastable dihydrate form and five anhydrous phases. The crystal structuresof all phases were determined using the in-situ X-ray powder diffractiondata.
Populationbalance modelling is a widely used tool to understand the mechanism and kineticparameters of crystal growth at the bench, to facilitate scale-up to Production.In this work, we present recommendations for particle size and shape analyticalmethods to improve the predictive capability of 1D and 2D population balancemodels for crystallisation of contemporary active ingredients. For 1D models, wereport that the optical model for laser diffraction, a common technique formeasuring particle size distribution, can significantly impact the growth parametersresolved from the model. For 2D models, particle image analysis of powders andsingle crystals give valuable length and width data to predict how the aspectratio of particles evolves. Future work will be directed towards applying thesetools when scaling a crystallization process.
Frustrated antiferromagnets offer a captivating platform to study the intricate relationship of magnetic interactions, geometric constraints, and emergent phenomena. By controlling spin orientations, these materials can be tailored for applications in spintronics and quantum information processing. The research focuses on the interplay of magnetic and exchange anisotropy effects in artificial heterostructures based on a canonical frustrated antiferromagnet, UO2. The potential to manipulate the spin directions in this material and switch between distinct antiferromagnetic (AFM) states is investigated using substrate‐induced strain. The phenomenon is probed using exchange bias effects in stoichiometric UO2/Fe3O4 bilayers. By employing many‐body first‐principles calculations magnetic configurations in the UO2 layers are identified. Even a minor tetragonal distortion triggers a transition between AFM states of different symmetries, driven by a robust alteration of single‐ion anisotropy due to the distortion. Consequently, this change influences the arrangement of magnetic moments at the UO2/Fe3O4 interface, affecting the magnitude of exchange bias. The findings showcase how epitaxial strain can effectively manipulate the AFM states in frustrated antiferromagnets by controlling single‐site anisotropy.
At the turn of the twentieth century, the establishment of quantum theory propelled rapid advancements, particularly in the understanding of quantum tunnellinga fundamental phenomenon in quantum mechanics crucial for various physical processes. The quantum phenomenon of particle passes through potential barriers is of great importance. In classical physics, when the energy of a particle is less than the height of a double barrier structure, it is impossible for it to pass through. However, quantum mechanics allows a particle to penetrate the barrier and emerge on the other side. This paper explores the quantum tunnelling effect, focusing on the single potential barrier model in one dimension and subsequently extending to the double potential barrier model. The Schrdinger equation provides the foundational framework for elucidating the motion of microscopic particles, emphasizing wave-particle duality inherent in quantum mechanics. The analysis of the single potential barrier model involves solving the Schrdinger equation in different regions, determining wave functions and coefficients through boundary conditions. The transmission coefficient is derived, representing the probability of a particle passing through a barrier. In the case of a thick barrier, an approximate form for transmission coefficient is provided, demonstrating the exponential decrease in transmission probability with increasing barrier thickness.
Considering the documented health benefits of bacterial exopolysaccharides (EPSs), specifically of bacterial levan (BL), including its intrinsic antimicrobial activity against certain pathogenic species, the current study concentrated on the development of active pharmaceutical ingredients (APIs) in the form of colloid systems (CoSs) containing silver nanoparticles (AgNPs) employing in-house biosynthesized BL as a reducing and capping agent. The established protocol of fermentation conditions implicating two species of lactic acid bacteria (LAB), i.e., Streptococcus salivarius K12 and Leuconostoc mesenteroides DSM 20343, ensured a yield of up to 25.7 and 13.7 g L −1 of BL within 72 h, respectively. An analytical approach accomplished by Fourier-transform infrared (FT-IR) spectroscopy allowed for the verification of structural features attributed to biosynthesized BL. Furthermore , scanning electron microscopy (SEM) revealed the crystalline morphology of biosynthesized BL with a smooth and glossy surface and highly porous structure. Molecular weight (M w) estimated by multi-detector size-exclusion chromatography (SEC) indicated that BL biosynthesized using S. salivarius K12 has an impressively high M w , corresponding to 15.435 × 10 4 kilodaltons (kDa). In turn, BL isolated from L. mesenteroides DSM 20343 was found to have an M w of only 26.6 kDa. Polydispersity index estimation (PD = M w /M n) of produced BL displayed a monodispersed molecule isolated from S. salivarius K12, corresponding to 1.08, while this was 2.17 for L. mesenteroides DSM 20343 isolate. The presence of fructose as the main backbone and, to a lesser extent, glucose and galactose as side chain molecules in EPS hydrolysates was supported by HPLC-RID detection. In producing CoS-BL@AgNPs within green biosynthesis, the presence of nanostructured objects with a size distribution from 12.67 ± 5.56 nm to 46.97 ± 20.23 was confirmed by SEM and energy-dispersive X-ray spectroscopy (EDX). The prominent inhibitory potency of elaborated CoS-BL@AgNPs against both reference test cultures, i.e., Pseudomonas aeruginosa, Escherichia coli, Enterobacter aerogenes, and Staphylococcus aureus and those of clinical origin with multi-drug resistance (MDR), was confirmed by disc and well diffusion tests and supported by the values of the minimum inhibitory and bactericidal concentrations. CoS-BL@AgNPs can be treated as APIs suitable for designing new antimicrobial agents and modifying therapies in controlling MDR pathogens.
The bile acid sodium symporter (BASS) family transports a wide array of molecules across membranes, including bile acids in humans, and small metabolites in plants. These transporters, many of which are sodium-coupled, have been shown to use an elevator mechanism of transport, but exactly how substrate binding is coupled to sodium ion binding and transport is not clear. Here, we solve the crystal structure at 2.3 Å of a transporter from Neisseria meningitidis (ASBT NM ) in complex with pantoate, a potential substrate of ASBT NM . The BASS family is characterised by two helices that cross-over in the centre of the protein in an arrangement that is intricately held together by two sodium ions. We observe that the pantoate binds, specifically, between the N-termini of two of the opposing helices in this cross-over region. During molecular dynamics simulations the pantoate remains in this position when sodium ions are present but is more mobile in their absence. Comparison of structures in the presence and absence of pantoate demonstrates that pantoate elicits a conformational change in one of the cross-over helices. This modifies the interface between the two domains that move relative to one another to elicit the elevator mechanism. These results have implications, not only for ASBT NM but for the BASS family as a whole and indeed other transporters that work through the elevator mechanism.
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