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Pharmaceutics ◽  
2022 ◽  
Vol 14 (1) ◽  
pp. 201
Author(s):  
István Timári ◽  
Sára Balla ◽  
Krisztina Fehér ◽  
Katalin E. Kövér ◽  
László Szilágyi

Detailed investigation of ligand–protein interactions is essential for better understanding of biological processes at the molecular level. Among these binding interactions, the recognition of glycans by lectins is of particular importance in several diseases, such as cancer; therefore, inhibition of glycan-lectin/galectin interactions represents a promising perspective towards developing therapeutics controlling cancer development. The recent introduction of 77Se NMR spectroscopy for monitoring the binding of a selenoglycoside to galectins prompted interest to optimize the sensitivity by increasing the 77Se content from the natural 7.63% abundance to 99%. Here, we report a convenient synthesis of 77Se-enriched selenodigalactoside (SeDG), which is a potent ligand of the medically relevant human galectin-3 protein, and proof of the expected sensitivity gain in 2D 1H, 77Se correlation NMR experiments. Our work opens perspectives for adding isotopically enriched selenoglycans for rapid monitoring of lectin-binding of selenated as well as non-selenated ligands and for ligand screening in competition experiments.


Mathematics ◽  
2022 ◽  
Vol 10 (2) ◽  
pp. 208
Author(s):  
Jun Wu ◽  
Yuanyuan Li ◽  
Li Shi ◽  
Liping Yang ◽  
Xiaxia Niu ◽  
...  

Existing studies have made a great endeavor in predicting users’ potential interests in items by modeling user preferences and item characteristics. As an important indicator of users’ satisfaction and loyalty, repeat purchase behavior is a promising perspective to extract insightful information for community e-commerce. However, the repeated purchase behaviors of users have not yet been thoroughly studied. To fill in this research gap from the perspective of repeated purchase behavior and improve the process of generation of candidate recommended items this research proposed a novel approach called ReRec (Repeat purchase Recommender) for real-life applications. Specifically, the proposed ReRec approach comprises two components: the first is to model the repeat purchase behaviors of different types of users and the second is to recommend items to users based on their repeat purchase behaviors of different types. The extensive experiments are conducted on a real dataset collected from a community e-commerce platform, and the performance of our model has improved at least about 13.6% compared with the state-of-the-art techniques in recommending online items (measured by F-measure). Specifically, for active users, with w = 1 and N(UA)∈[5,25], the results of ReRec show a significant improvement (at least 50%) in recommendation. With α and σ as 0.75 and 0.2284, respectively, the proposed ReRec for unactive users is also superior to (at least 13.6%) the evaluation indicators of traditional Item CF when N(UB)∈[6, 25]. To the best of our knowledge, this paper is the first to study recommendations in community e-commerce.


Materials ◽  
2022 ◽  
Vol 15 (1) ◽  
pp. 327
Author(s):  
Aikaterini Dedeloudi ◽  
Angeliki Siamidi ◽  
Panagoula Pavlou ◽  
Marilena Vlachou

The formulation of an ideal vaginal drug delivery system (DDS), with the requisite properties, with respect to safety, efficacy, patient compliance, aesthetics, harmonization with the regulatory requirements, and cost, requires a meticulous selection of the active ingredients and the excipients used. Novel excipients defined by diversity and multifunctionality are used in order to ameliorate drug delivery attributes. Synthetic and natural polymers are broadly used in pharmaceutical vaginal formulations (solid, semi-solid dosage forms, implantable devices, and nanomedicines) with a promising perspective in improving stability and compatibility issues when administered topically or systemically. Moreover, the use of biopolymers is aiming towards formulating novel bioactive, biocompatible, and biodegradable DDSs with a controllable drug release rate. Overviewing vaginal microenvironment, which is described by variable and perplexed features, a perceptive choice of excipients is essential. This review summarizes the recent advances on the excipients used in modified vaginal drug delivery formulations, in an attempt to aid the formulation scientist in selecting the optimal excipients for the preparation of vaginal products.


2021 ◽  
Vol 933 ◽  
Author(s):  
Xi Chen ◽  
Katepalli R. Sreenivasan

The dominant paradigm in turbulent wall flows is that the mean velocity near the wall, when scaled on wall variables, is independent of the friction Reynolds number $Re_\tau$ . This paradigm faces challenges when applied to fluctuations but has received serious attention only recently. Here, by extending our earlier work (Chen & Sreenivasan, J. Fluid Mech., vol. 908, 2021, p. R3) we present a promising perspective, and support it with data, that fluctuations displaying non-zero wall values, or near-wall peaks, are bounded for large values of $Re_\tau$ , owing to the natural constraint that the dissipation rate is bounded. Specifically, $\varPhi _\infty - \varPhi = C_\varPhi \,Re_\tau ^{-1/4},$ where $\varPhi$ represents the maximum value of any of the following quantities: energy dissipation rate, turbulent diffusion, fluctuations of pressure, streamwise and spanwise velocities, squares of vorticity components, and the wall values of pressure and shear stresses; the subscript $\infty$ denotes the bounded asymptotic value of $\varPhi$ , and the coefficient $C_\varPhi$ depends on $\varPhi$ but not on $Re_\tau$ . Moreover, there exists a scaling law for the maximum value in the wall-normal direction of high-order moments, of the form $\langle \varphi ^{2q}\rangle ^{{1}/{q}}_{max}= \alpha _q-\beta _q\,Re^{-1/4}_\tau$ , where $\varphi$ represents the streamwise or spanwise velocity fluctuation, and $\alpha _q$ and $\beta _q$ are independent of $Re_\tau$ . Excellent agreement with available data is observed. A stochastic process for which the random variable has the form just mentioned, referred to here as the ‘linear $q$ -norm Gaussian’, is proposed to explain the observed linear dependence of $\alpha _q$ on $q$ .


2021 ◽  
Vol 19 (1) ◽  
Author(s):  
Lupeng Zeng ◽  
Huaying Wang ◽  
Wanhua Shi ◽  
Lingfan Chen ◽  
Tingting Chen ◽  
...  

Abstract Background Cancer is one of the devastating diseases in the world. The development of nanocarrier provides a promising perspective for improving cancer therapeutic efficacy. However, the issues with potential toxicity, quantity production, and excessive costs limit their further applications in clinical practice. Results Herein, we proposed a nanocarrier obtained from aloe with stability and leak-proofness. We isolated nanovesicles from the gel and rind of aloe (gADNVs and rADNVs) with higher quality and yield by controlling the final centrifugation time within 20 min, and modulating the viscosity at 2.98 mPa S and 1.57 mPa S respectively. The gADNVs showed great structure and storage stability, antioxidant and antidetergent capacity. They could be efficiently taken up by melanoma cells, and with no toxicity in vitro or in vivo. Indocyanine green (ICG) loaded in gADNVs (ICG/gADNVs) showed great stability in both heating system and in serum, and its retention rate exceeded 90% after 30 days stored in gADNVs. ICG/gADNVs stored 30 days could still effectively damage melanoma cells and inhibit melanoma growth, outperforming free ICG and ICG liposomes. Interestingly, gADNVs showed prominent penetrability to mice skin which might be beneficial to noninvasive transdermal administration. Conclusions Our research was designed to simplify the preparation of drug carrier, and reduce production cost, which provided an alternative for the development of economic and safe drug delivery system. Graphical Abstract


Author(s):  
Katarzyna Nazimek ◽  
Krzysztof Bryniarski

Due to their exceptional properties, extracellular vesicles (EVs) receive special attention as next generation biotherapeutics and vehicles for drug delivery. However, despite having many advantages over cell-based therapies, EVs usually exert lower therapeutic efficacy. This results from a number of hurdles that are faced by the EV-based approaches. Administered EVs could be rapidly cleared by the mononuclear phagocytes as well as can randomly distribute within various tissues, making tissue penetration and cell targeting insufficient. However, recent research findings imply that these limitations could be overcome with the use of antigen-specific antibodies and light chains. Major histocompatibility complex (MHC) class II-expressing EVs have been shown to form aggregates after co-incubation with antigen-specific antibodies, which greatly enhanced their biological efficacy. On the other hand, EVs could be coated with antibody light chains of chosen specificity to direct them towards desired target cell population. Both findings open up a promising perspective to achieve the highest efficacy of the EV-based approaches. Herein we discuss the opportunities for enhancing extracellular vesicle’s biological activity by using specific antibodies and light chains in the context of the challenges faced by such therapeutic approach.


2021 ◽  
Author(s):  
Guanwen Feng ◽  
Hang Yao ◽  
Chaoneng Li ◽  
Ruyi Liu ◽  
Rungen Huang ◽  
...  

Cancer remains one of the most threatening diseases, which kills millions of lives every year. As a promising perspective for cancer treatments, anticancer peptides (ACPs) overcome a lot of disadvantages of traditional treatments. However, it is time-consuming and expensive to identify ACPs through conventional experiments. Hence, it is urgent and necessary to develop highly effective approaches to accurately identify ACPs in large amounts of protein sequences. In this work, we proposed a novel and effective method named ME-ACP which employed multi-view neural networks with ensemble model to identify ACPs. Firstly, we employed residue level and peptide level features preliminarily with ensemble models based on lightGBMs. Then, the outputs of lightGBM classifiers were fed into a hybrid deep neural network (HDNN) to identify ACPs. The experiments on independent test datasets demonstrated that ME-ACP achieved competitive performance on common evaluation metrics.


2021 ◽  
Author(s):  
Yi-Fan Zhou ◽  
Wen-Yan Chang ◽  
Jing-Zhe Chen ◽  
Jun-Ren Huang ◽  
Jia-Ying Fu ◽  
...  

Abstract Quantum interference (QI) in single molecular junctions shows a promising perspective for realizing conceptual nanoelectronics. However, controlling and modulating the QI remains a big challenge. Herein, two-type substituents at different positions of meta-linked benzene, namely electron-donating methoxy (-OMe) and electron-withdrawing nitryl (-NO2), are designed and synthesized to investigate the substituent effects on QI. The calculated transmission coefficients T(E) indicates that -OMe and -NO2 could remove the antiresonance and destructive quantum interference (DQI)-induced transmission dips at position 2. -OMe could raise the antiresonance energy at position 4 while -NO2 groups removes the DQI features. For substituents at position 5, both of them are nonactive for tuning QI. The conductance measurements by scanning tunneling microscopy break junction (STM-BJ) show a good agreement with the theoretical prediction. More than two order of magnitude single-molecule conductance on/off ratio could be achieved at the different positions of -NO2 substituent groups at room temperature. The present work proves chemical substituents can be used for tuning QI features in single molecular junctions, which provides a feasible way toward realization of high-performance molecular devices.


Cells ◽  
2021 ◽  
Vol 10 (11) ◽  
pp. 2995
Author(s):  
Małgorzata Zawadzka ◽  
Anna Kwaśniewska ◽  
Krzysztof Miazga ◽  
Urszula Sławińska

Traumatic injury of the spinal cord (SCI) is a devastating neurological condition often leading to severe dysfunctions, therefore an improvement in clinical treatment for SCI patients is urgently needed. The potential benefits of transplantation of various cell types into the injured spinal cord have been intensively investigated in preclinical SCI models and clinical trials. Despite the many challenges that are still ahead, cell transplantation alone or in combination with other factors, such as artificial matrices, seems to be the most promising perspective. Here, we reviewed recent advances in cell-based experimental strategies supporting or restoring the function of the injured spinal cord with a particular focus on the regenerative mechanisms that could define their clinical translation.


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