bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular design of free volume structure in thermally rearranged polybenzoxazole membranes for gas separation studied by positron annihilation
Authors: Liu Xu , Liu Qian , Qi Ning , Chen Zhiquan 
Published: May 2024

AbstractIn this work, 2,2‐bis(3‐amino‐4‐hydroxyphenyl) hexafluoropropane (APAF) was used as the fixed diamine monomer, and 4,4′‐(hexafluoroisopropylidene) diphthalic anhydride (6FDA), 4,4′‐oxydiphthalic anhydride (ODPA), 3,3′,4,4′‐biphenyltetracarboxylic diandhydride (BPDA) and pyromellitic dianhydride (PMDA) were selected as four different dianhydride monomers, respectively, to prepare the thermally rearranged polybenzoxazole (TR‐PBO) gas separation membranes with different structures via a thermal rearrangement reaction at 450°C. The microstructure of TR‐PBO membranes was investigated using X‐ray diffraction and positron annihilation spectroscopy. All the TR‐PBO membranes exhibit bimodal free volume structure, containing ultramicropores (<0.7 nm) and micropores (<2 nm) with size of 3.6–4.6 and 7.6–8.4 Å, respectively. As the steric hindrance of the bridging groups in the dianhydride monomers increases, the radius and number of pores in the membranes increases, leading to an increase in fractional free volume (FFV). The pure gas permeation test shows a positive correlation between gas permeability and FFV in the TR‐PBO membranes, indicating that an increase in FFV is favorable for the diffusion of gas molecules. Particularly, the ultramicropores play a decisive role on the gas selectivity. All the TR‐PBO membranes exhibit excellent gas permeaselectivity. Among them, the H2/CH4 separation performance of APAF‐6FDA and APAF‐ODPA membranes approaches the 2008 Robeson upper bound, which is due to the high number of both micropores and ultramicropores. Our results demonstrate that the free volume structure of polymer membranes can be designed by selecting monomers with different structures and utilizing thermal rearrangement reactions, allowing for the preparation of gas separation membranes with high permeability and selectivity.
Management of respiratory issues in patients with Rett syndrome: Italian experts' consensus using a Delphi approach
Authors: Cherchi Claudio , Chiappini Elena , Amaddeo Alessandro , Chiarini Testa Maria Beatrice , Banfi Paolo , Veneselli Edvige , Cutrera Renato ,   the panel for the Problems in Patients with Rett Syndrome
Published: May 2024

AbstractBackgroundDespite the publication of the 2020 guidelines on how to manage Rett Syndrome (RS), some fundamental topics are still open, in particular respiratory problems.ObjectiveIdentification and reinforcement of current recommendations concerning the management of respiratory issues in RS patients.Materials and MethodsUsing a Delphi approach, the leading group reviewed the literature and formulated 14 statements. A multidisciplinary panel of 29 experts were invited to score, for each statement, their agreement on a 1–5 scale. The cut‐off level for consensus was 75%, obtained through multiple rounds.ResultsThe panel agreed that in all RS types, respiratory issues should be faced at an early stage, regardless of epilepsy onset. It is recommended to perform periodically sleep studies in all Congenital Rett Syndrome, and in selected cases with other RS types. Noninvasive ventilation should be considered in all RS subjects with sleep respiratory disorders and in those with hypotonia associated with hypercapnia. Chest physiotherapy should be performed in all RS patients with difficult management of the accumulation of respiratory secretions, using airway clearance techniques and devices (PEP‐mask, AMBU bag, or cough machine), more appropriate and tolerated by the patients. The panel recommended individualized programs for the management of scoliosis, and to consider performing gastrostomy in patients at increased risk of ab ingestis pneumonia.ConclusionsThis consensus could support everyday clinical practice on respiratory issues in RS patients, complementary to existing recommendations by regulatory agencies and guidelines.
Understanding the stability of a plastic‐degrading Rieske iron oxidoreductase system
Authors: Beech Jessica Lusty , Maurya Anjani K. , Rodrigues da Silva Ronivaldo , Akpoto Emmanuel , Asundi Arun , Fecko Julia Ann , Yennawar Neela H. , Sarangi Ritimukta , Tassone Christopher , Weiss Thomas M. , DuBois Jennifer L. 
Published: May 2024

AbstractRieske oxygenases (ROs) are a diverse metalloenzyme class with growing potential in bioconversion and synthetic applications. We postulated that ROs are nonetheless underutilized because they are unstable. Terephthalate dioxygenase (TPADO PDB ID 7Q05) is a structurally characterized heterohexameric α3β3 RO that, with its cognate reductase (TPARED), catalyzes the first intracellular step of bacterial polyethylene terephthalate plastic bioconversion. Here, we showed that the heterologously expressed TPADO/TPARED system exhibits only ~300 total turnovers at its optimal pH and temperature. We investigated the thermal stability of the system and the unfolding pathway of TPADO through a combination of biochemical and biophysical approaches. The system's activity is thermally limited by a melting temperature (Tm) of 39.9°C for the monomeric TPARED, while the independent Tm of TPADO is 50.8°C. Differential scanning calorimetry revealed a two‐step thermal decomposition pathway for TPADO with Tm values of 47.6 and 58.0°C (ΔH = 210 and 509 kcal mol−1, respectively) for each step. Temperature‐dependent small‐angle x‐ray scattering and dynamic light scattering both detected heat‐induced dissociation of TPADO subunits at 53.8°C, followed by higher‐temperature loss of tertiary structure that coincided with protein aggregation. The computed enthalpies of dissociation for the monomer interfaces were most congruent with a decomposition pathway initiated by β‐β interface dissociation, a pattern predicted to be widespread in ROs. As a strategy for enhancing TPADO stability, we propose prioritizing the re‐engineering of the β subunit interfaces, with subsequent targeted improvements of the subunits.
Structural basis of chemokine recognition by the class A3 tick evasin EVA‐ACA1001
Authors: Devkota Shankar Raj , Aryal Pramod , Wilce Matthew C. J. , Payne Richard J. , Stone Martin J. , Bhusal Ram Prasad 
Published: May 2024

AbstractTicks produce chemokine‐binding proteins, known as evasins, in their saliva to subvert the host's immune response. Evasins bind to chemokines and thereby inhibit the activation of their cognate chemokine receptors, thus suppressing leukocyte recruitment and inflammation. We recently described subclass A3 evasins, which, like other class A evasins, exclusively target CC chemokines but appear to use a different binding site architecture to control target selectivity among CC chemokines. We now describe the structural basis of chemokine recognition by the class A3 evasin EVA‐ACA1001. EVA‐ACA1001 binds to almost all human CC chemokines and inhibits receptor activation. Truncation mutants of EVA‐ACA1001 showed that, unlike class A1 evasins, both the N‐ and C‐termini of EVA‐ACA1001 play minimal roles in chemokine binding. To understand the structural basis of its broad chemokine recognition, we determined the crystal structure of EVA‐ACA1001 in complex with the human chemokine CCL16. EVA‐ACA1001 forms backbone‐backbone interactions with the CC motif of CCL16, a conserved feature of all class A evasin‐chemokine complexes. A hydrophobic pocket in EVA‐ACA1001, formed by several aromatic side chains and the unique disulfide bond of class A3 evasins, accommodates the residue immediately following the CC motif (the “CC + 1 residue”) of CCL16. This interaction is shared with EVA‐AAM1001, the only other class A3 evasins characterized to date, suggesting it may represent a common mechanism that accounts for the broad recognition of CC chemokines by class A3 evasins.
In silico identification of a novel Cdc2‐like kinase 2 (CLK2) inhibitor in triple negative breast cancer
Authors: Huang Cheng‐Chiao , Hsu Chia‐Ming , Chao Min‐Wu , Hsu Kai‐Cheng , Lin Tony Eight , Yen Shih‐Chung , Tu Huang‐Ju , Pan Shiow‐Lin 
Published: May 2024

AbstractDysregulation of RNA splicing processes is intricately linked to tumorigenesis in various cancers, especially breast cancer. Cdc2‐like kinase 2 (CLK2), an oncogenic RNA‐splicing kinase pivotal in breast cancer, plays a significant role, particularly in the context of triple‐negative breast cancer (TNBC), a subtype marked by substantial medical challenges due to its low survival rates. In this study, we employed a structure‐based virtual screening (SBVS) method to identify potential CLK2 inhibitors with novel chemical structures for treating TNBC. Compound 670551 emerged as a novel CLK2 inhibitor with a 50% inhibitory concentration (IC50) value of 619.7 nM. Importantly, Compound 670551 exhibited high selectivity for CLK2 over other protein kinases. Functionally, this compound significantly reduced the survival and proliferation of TNBC cells. Results from a cell‐based assay demonstrated that this inhibitor led to a decrease in RNA splicing proteins, such as SRSF4 and SRSF6, resulting in cell apoptosis. In summary, we identified a novel CLK2 inhibitor as a promising potential treatment for TNBC therapy.
AMPActiPred: A three‐stage framework for predicting antibacterial peptides and activity levels with deep forest
Authors: Yao Lantian , Guan Jiahui , Xie Peilin , Chung Chia‐Ru , Deng Junyang , Huang Yixian , Chiang Ying‐Chih , Lee Tzong‐Yi 
Published: May 2024

AbstractThe emergence and spread of antibiotic‐resistant bacteria pose a significant public health threat, necessitating the exploration of alternative antibacterial strategies. Antibacterial peptide (ABP) is a kind of antimicrobial peptide (AMP) that has the potential ability to fight against bacteria infection, offering a promising avenue for developing novel therapeutic interventions. This study introduces AMPActiPred, a three‐stage computational framework designed to identify ABPs, characterize their activity against diverse bacterial species, and predict their activity levels. AMPActiPred employed multiple effective peptide descriptors to effectively capture the compositional features and physicochemical properties of peptides. AMPActiPred utilized deep forest architecture, a cascading architecture similar to deep neural networks, capable of effectively processing and exploring original features to enhance predictive performance. In the first stage, AMPActiPred focuses on ABP identification, achieving an Accuracy of 87.6% and an MCC of 0.742 on an elaborate dataset, demonstrating state‐of‐the‐art performance. In the second stage, AMPActiPred achieved an average GMean at 82.8% in identifying ABPs targeting 10 bacterial species, indicating AMPActiPred can achieve balanced predictions regarding the functional activity of ABP across this set of species. In the third stage, AMPActiPred demonstrates robust predictive capabilities for ABP activity levels with an average PCC of 0.722. Furthermore, AMPActiPred exhibits excellent interpretability, elucidating crucial features associated with antibacterial activity. AMPActiPred is the first computational framework capable of predicting targets and activity levels of ABPs. Finally, to facilitate the utilization of AMPActiPred, we have established a user‐friendly web interface deployed at https://awi.cuhk.edu.cn/∼AMPActiPred/.
Addition of sodium malonate alters the morphology and increases the critical flux during tangential flow filtration of precipitated immunoglobulins
Authors: Behboudi Ali , Minervini Mirko , Badinger Zachary S. , Haddad William W. , Zydney Andrew L. 
Published: May 2024

AbstractRecent studies have demonstrated that one can control the packing density, and in turn the filterability, of protein precipitates by changing the pH and buffer composition of the precipitating solution to increase the structure/order within the precipitate. The objective of this study was to examine the effect of sodium malonate, which is known to enhance protein crystallizability, on the morphology of immunoglobulin precipitates formed using a combination of ZnCl2 and polyethylene glycol. The addition of sodium malonate significantly stabilized the precipitate particles as shown by an increase in melting temperature, as determined by differential scanning calorimetry, and an increase in the enthalpy of interaction, as determined by isothermal titration calorimetry. The sodium malonate also increased the selectivity of the precipitation, significantly reducing the coprecipitation of DNA from a clarified cell culture fluid. The resulting precipitate had a greater packing density and improved filterability, enabling continuous tangential flow filtration with minimal membrane fouling relative to precipitates formed under otherwise identical conditions but in the absence of sodium malonate. These results provide important insights into strategies for controlling precipitate morphology to enhance the performance of precipitation‐filtration processes for the purification of therapeutic proteins.
Cutibacterium acnes invades prostate epithelial cells to induce BRCAness as a possible pathogen of prostate cancer
Authors: Ashida Shingo , Kawada Chiaki , Tanaka Hiroko , Kurabayashi Atsushi , Yagyu Ken‐ichi , Sakamoto Shuji , Maejima Kazuhiro , Miyano Satoru , Daibata Masanori , Nakagawa Hidewaki , Inoue Keiji 
Published: May 2024

AbstractBackgroundAbundant evidence suggests that chronic inflammation is linked to prostate cancer and that infection is a possible cause of prostate cancer.MethodsTo identify microbiota or pathogens associated with prostate cancer, we investigated the transcriptomes of 20 human prostate cancer tissues. We performed de novo assembly of nonhuman sequences from RNA‐seq data.ResultsWe identified four bacteria as candidate microbiota in the prostate, including Moraxella osloensis, Uncultured chroococcidiopsis, Cutibacterium acnes, and Micrococcus luteus. Among these, C. acnes was detected in 19 of 20 prostate cancer tissue samples by immunohistochemistry. We then analyzed the gene expression profiles of prostate epithelial cells infected in vitro with C. acnes and found significant changes in homologous recombination (HR) and the Fanconi anemia pathway. Notably, electron microscopy demonstrated that C. acnes invaded prostate epithelial cells and localized in perinuclear vesicles, whereas analysis of γH2AX foci and HR assays demonstrated impaired HR repair. In particular, BRCA2 was significantly downregulated in C. acnes–infected cells.ConclusionsThese findings suggest that C. acnes infection in the prostate could lead to HR deficiency (BRCAness) which promotes DNA double‐strand breaks, thereby increasing the risk of cancer development.
Optimal hybrid layout of point and open‐path gas detectors in process facilities of natural gas stations
Authors: Xiao Fei , Qian Hao , Liu Lisheng , Shao Lingling 
Published: May 2024

AbstractBecause open‐path gas detectors offer superior technical performance, leakage monitoring systems tend to use a hybrid layout of point and open‐path gas detectors. However, most research on the optimized layout of leakage monitoring has focused only on point gas detectors. In this paper, an optimization model for a hybrid layout of point and open‐path gas detectors was proposed considering the cost–benefit ratio and detection time. As the measured value of an open‐path gas detector is an integral concentration, a monitor line in the simulation was calculated via the approximate rectangle method. The results showed that the use of a multiobjective gas detector layout considering the cost–benefit ratio and an improved non‐dominated sorting genetic algorithm (NSGA‐II) could optimize the layout of hybrid detectors. The hybrid layout was analyzed in a case study of process facilities at a natural gas station. As the number of detectors increased (safety investment), the proportion of open‐path gas detectors increased, improving both leakage monitoring performance and the cost–benefit ratio. Additionally, the layout of the point gas detectors was analyzed. A comparison of objective function values for detection time showed the superiority of the hybrid layout in our research.
Potential therapeutic strategies to halt viral neuroinvasion
Authors: Zhang Luping , Ashraf Usama , Chen Huanchun , Cao Shengbo , Ye Jing 
Published: May 2024

AbstractThe viral infection of the central nervous system is a significant public health concern. So far, most clinical cases of viral neuroinvasion are dealt with supportive and/or symptomatic treatments due to the unavailability of specific treatments. Thus, developing specific therapies is required to alleviate neurological symptoms and disorders. In this review, we shed light on molecular aspects of viruses' entry into the brain which upon targeting with specific drugs have shown promising efficacy in vitro and in preclinical in vivo model systems. Further assessing the therapeutic potential of these drugs in clinical trials may offer opportunities to halt viral neuroinvasion in humans.
TKO‐SLAM: Visual SLAM algorithm based on time‐delay feature regression and keyframe pose optimization
Authors: Xu Tao , Chen Mengyuan , Liu Jinhui 
Published: May 2024

AbstractThis paper addresses the challenge of generating clear image frames and minimizing the loss of keyframes by a robot engaging in rapid large viewing angle motion. These issues often lead to detrimental consequences such as trajectory drifting and loss during the construction of curved motion trajectories. To tackle this, we proposed a novel visual simultaneous localization and mapping (SLAM) algorithm, TKO‐SLAM, which is based on time‐delay feature regression and keyframe position optimization. TKO‐SLAM uses a multiscale recurrent neural network to rectify object deformation and image motion smear. This network effectively repairs the time‐delay image features caused by the rapid movement of the robot, thereby enhancing visual clarity. Simultaneously, inspired by the keyframe selection strategy of the ORB‐SLAM3 algorithm, we introduced a grayscale motion‐based image processing method to supplement keyframes that may be omitted due to the robot's rapid large viewing angle motion. To further refine the algorithm, the time‐delay feature regression image keyframes and adjacent secondary keyframes were used as dual measurement constraints to optimize camera poses and restore robot trajectories. The results of experiments on the benchmark RGB‐D data set TUM and real‐world scenarios show that TKO‐SLAM algorithm achieves more than 10% better localization accuracy than the PKS‐SLAM algorithm in the rapid large viewing angle motion scenario, and has advantages over the SOTA algorithms.
Prior effective sample size for exponential family distributions with multiple parameters
Authors: Tamanoi Ryota 
Published: May 2024

AbstractThe setting of priors is an important issue in Bayesian analysis. In particular, when external information is applied, a prior with too much information can dominate the posterior inferences. To prevent this effect, the effective sample size (ESS) can be used. Various ESSs have been proposed recently; however, all have the problem of limiting the applicable prior distributions. For example, one ESS can only be used with a prior that can be approximated by a normal distribution, and another ESS cannot be applied when the parameters are multidimensional. We propose an ESS to be applied to more prior distributions when the sampling model belongs to an exponential family (including the normal model and logistic regression models). This ESS has the predictive consistency and can be used with multidimensional parameters. It is confirmed from normally distributed data with the Student's‐t priors that this ESS behaves as well as an existing predictively consistent ESS for one‐parameter exponential families. As examples of multivariate parameters, ESSs for linear and logistic regression models are also discussed.
Energy‐efficient physical layer security schemes for low Earth orbit satellite systems
Authors: Chan Satya , Kim Sooyoung , Kim Hee Wook , Ku Bon‐Jun , Oh Daesub 
Published: May 2024

SummaryThis paper introduces four proposals to enhance physical layer security (PLS) in low Earth orbit (LEO) satellite systems. The first proposal leverages the Alamouti code aided by artificial noise (AN) and involves the collaborative use of two LEO satellites, ensuring secure downlink transmission. Its efficiency is further enhanced when implementing a power‐balanced Alamouti code. The second PLS proposal capitalizes on an reconfigurable intelligent surface (RIS) to introduce interference to potential eavesdroppers. As the RIS manages the reflected channel, this security measure is achieved without necessitating additional transmit power or receiver operations. The third proposal integrates the first and second solutions, resulting in improved secrecy rates compared to the individual proposals, nearly reaching the maximum achievable rate. The fourth proposal is based on a relay‐based method, securing all transmission links from the satellite to the relay and from the satellite and relay to the legitimate user. The secrecy performance simulation results presented in the paper demonstrate the remarkable effectiveness of the proposed solutions.
Self‐Assembled Cyclotriguaiacyclene‐Integrated Supramolecular Systems for Liquid Crystal and Self‐Assembly Behavior
Authors: Panchal Meet K. , Sharma Vinay S. , Mali Hitendra , Rathod Suryajit L. , Parekh Hitesh M. , Suthar Deepak , Athar Mohd , Shrivastav Pranav S. 
Published: May 2024

AbstractAn advanced tri‐substituted supramolecular material was synthesized via conversion of cyclotriveratrylene to cyclotriguaiacyclene with further esterification reaction with fluorescein unit embedded with side‐arms. All four luminescent materials exhibited columnar hexagonal type mesophase on both heating and cooling conditions. The materials with hexadecyloxy and octadecyloxy tail group exhibit liquid crystalline behavior at room temperature indicating the presence of a mesophase even under ambient conditions. By combining polarizing optical microscopy, differential scanning calorimetry, and high‐temperature X‐Ray diffraction techniques to understanding the optical, thermal, and molecular packing behavior of the compounds in the liquid crystalline state. The cyclotriguaiacyclene core with high fluorescent nature displayed columnar hexagonal type self‐assembly at room temperature. All four supramolecular mesogens showed higher thermal stability of mesophase. The computational study provides the importance of the electronic nature of the compounds.