bluuebunny/crossref_metadata_2025 huggingface dataset:
Trajectory sampling and finite-size effects in first-principles stopping power calculations
Authors: Kononov Alina , Hentschel Thomas W. , Hansen Stephanie B. , Baczewski Andrew D.
Published: October 2023

Real-time time-dependent density functional theory (TDDFT) is presently the most accurate available method for computing electronic stopping powers from first principles. However, obtaining application-relevant results often involves either costly averages over multiple calculations or ad hoc selection of a representative ion trajectory. We consider a broadly applicable, quantitative metric for evaluating and optimizing trajectories in this context. This methodology enables rigorous analysis of the failure modes of various common trajectory choices in crystalline materials. Although randomly selecting trajectories is common practice in stopping power calculations in solids, we show that nearly 30% of random trajectories in an FCC aluminum crystal will not representatively sample the material over the time and length scales feasibly simulated with TDDFT, and unrepresentative choices incur errors of up to 60%. We also show that finite-size effects depend on ion trajectory via “ouroboros” effects beyond the prevailing plasmon-based interpretation, and we propose a cost-reducing scheme to obtain converged results even when expensive core-electron contributions preclude large supercells. This work helps to mitigate poorly controlled approximations in first-principles stopping power calculations, allowing 1–2 order of magnitude cost reductions for obtaining representatively averaged and converged results.
A mechanosensitive caveolae–invadosome interplay drives matrix remodelling for cancer cell invasion
Authors: Monteiro Pedro , Remy David , Lemerle Eline , Routet Fiona , Macé Anne-Sophie , Guedj Chloé , Ladoux Benoit , Vassilopoulos Stéphane , Lamaze Christophe , Chavrier Philippe
Published: October 2023

Invadosomes and caveolae are mechanosensitive structures that are implicated in metastasis. Here, we describe a unique juxtaposition of caveola clusters and matrix degradative invadosomes at contact sites between the plasma membrane of cancer cells and constricting fibrils both in 2D and 3D type I collagen matrix environments. Preferential association between caveolae and straight segments of the fibrils, and between invadosomes and bent segments of the fibrils, was observed along with matrix remodelling. Caveola recruitment precedes and is required for invadosome formation and activity. Reciprocally, invadosome disruption results in the accumulation of fibril-associated caveolae. Moreover, caveolae and the collagen receptor β1 integrin co-localize at contact sites with the fibrils, and integrins control caveola recruitment to fibrils. In turn, caveolae mediate the clearance of β1 integrin and collagen uptake in an invadosome-dependent and collagen-cleavage-dependent mechanism. Our data reveal a reciprocal interplay between caveolae and invadosomes that coordinates adhesion to and proteolytic remodelling of confining fibrils to support tumour cell dissemination.
Association between pathologic response and survival after neoadjuvant therapy in lung cancer
Authors: Deutsch Julie Stein , Cimino-Mathews Ashley , Thompson Elizabeth , Provencio Mariano , Forde Patrick M. , Spicer Jonathan , Girard Nicolas , Wang Daphne , Anders Robert A. , Gabrielson Edward , Illei Peter , Jedrych Jaroslaw , Danilova Ludmila , Sunshine Joel , Kerr Keith M. , Tran Mia , Bushong Judith , Cai Junliang , Devas Vipul , Neely Jaclyn , Balli David , Cottrell Tricia R. , Baras Alex S. , Taube Janis M.
Published: October 2023

Neoadjuvant immunotherapy plus chemotherapy improves event-free survival (EFS) and pathologic complete response (0% residual viable tumor (RVT) in primary tumor (PT) and lymph nodes (LNs)), and is approved for treatment of resectable lung cancer. Pathologic response assessment after neoadjuvant therapy is the potential analog to radiographic response for advanced disease. However, %RVT thresholds beyond pathologic complete response and major pathologic response (≤10% RVT) have not been explored. Pathologic response was prospectively assessed in the randomized, phase 3 CheckMate 816 trial (NCT02998528), which evaluated neoadjuvant nivolumab (anti-programmed death protein 1) plus chemotherapy in patients with resectable lung cancer. RVT, regression and necrosis were quantified (0–100%) in PT and LNs using a pan-tumor scoring system and tested for association with EFS in a prespecified exploratory analysis. Regardless of LN involvement, EFS improved with 0% versus >0% RVT-PT (hazard ratio = 0.18). RVT-PT predicted EFS for nivolumab plus chemotherapy (area under the curve = 0.74); 2-year EFS rates were 90%, 60%, 57% and 39% for patients with 0–5%, >5–30%, >30–80% and >80% RVT, respectively. Each 1% RVT associated with a 0.017 hazard ratio increase for EFS. Combining pathologic response from PT and LNs helped differentiate outcomes. When compared with radiographic response and circulating tumor DNA clearance, %RVT best approximated EFS. These findings support pathologic response as an emerging survival surrogate. Further assessment of the full spectrum of %RVT in lung cancer and other tumor types is warranted. ClinicalTrials.gov registration: NCT02998528.
Dissecting neural computations in the human auditory pathway using deep neural networks for speech
Authors: Li Yuanning , Anumanchipalli Gopala K. , Mohamed Abdelrahman , Chen Peili , Carney Laurel H. , Lu Junfeng , Wu Jinsong , Chang Edward F.
Published: October 2023

The human auditory system extracts rich linguistic abstractions from speech signals. Traditional approaches to understanding this complex process have used linear feature-encoding models, with limited success. Artificial neural networks excel in speech recognition tasks and offer promising computational models of speech processing. We used speech representations in state-of-the-art deep neural network (DNN) models to investigate neural coding from the auditory nerve to the speech cortex. Representations in hierarchical layers of the DNN correlated well with the neural activity throughout the ascending auditory system. Unsupervised speech models performed at least as well as other purely supervised or fine-tuned models. Deeper DNN layers were better correlated with the neural activity in the higher-order auditory cortex, with computations aligned with phonemic and syllabic structures in speech. Accordingly, DNN models trained on either English or Mandarin predicted cortical responses in native speakers of each language. These results reveal convergence between DNN model representations and the biological auditory pathway, offering new approaches for modeling neural coding in the auditory cortex.
Assessment of the eye surface and subjective symptoms after using 0.1% dexamethasone drops with and without preservatives in patients after cataract surgery
Authors: Muzyka-Woźniak Maria , Stróżecki Łukasz , Przeździecka-Dołyk Joanna
Published: October 2023

Cataract surgery can cause dry eye symptoms. One of the many factors compromising the ocular surface is the use of benzalkonium chloride (BAC)-preserved topical eye drops administered during the postoperative period. In this open-label, prospective, randomized, comparative clinical trial, 40 patients not previously affected by dry eye disease were assigned to receive either preservative-free (PFD) or preserved (PD) dexamethasone 0.1% eye drops for two weeks after a standard phacoemulsification procedure. Fluorescein break-up time, ocular surface staining score, Schirmer test, Ocular Surface Disease Index and anterior chamber (AC) cells were evaluated at baseline prior to the surgery and 2 weeks after surgery. No statistically significant differences in baseline assessments were observed between groups. At week 2, a significant increase in corneal staining scores (p = 0.003) and foreign body sensation (p = 0.04) was observed for the PD group only. The conjunctival staining score was significantly higher in both groups. The mean AC cell grading was higher in the PFD group than in the PD group (0.28 ± 0.30 and 0.07 ± 0.18, respectively; p = 0.013). Preservative-free dexamethasone eye drops after cataract surgery caused milder dry eye symptoms as compared with preserved dexamethasone. The AC inflammation control comparison may require a larger study group. Trial registration: ClinicalTrials.gov identifier NCT05753787, 03/03/2023.
Features of architectural landscape fragmentation in traditional villages in Western Hunan, China
Authors: Zeng Can , Liu Peilin , Huang Liuqian , Feng Shun , Li Yu
Published: October 2023

With rapid industrialization and urbanization in China, inadequate preservation of traditional architecture coupled with natural deterioration have led to the fragmentation of architectural landscapes. Drawing from ecological fragmentation research in landscape ecology, we consider the cultural landscape as our research object, viewing buildings as landscape patches, and determine a system for measuring architectural landscape fragmentation in traditional villages. The study shows the degree of landscape fragmentation can reveal the characteristics of traditional villages and the process of regional modernization. The results are as follows: (1) From the perspective of landscape diversity, the study area was rich in landscape types in all dimensions, and the relative evenness index was high, signifying evident or severe fragmentation. (2) The index of landscape heterogeneity in the dimensions of building quality, height, and landscape appearance is low in the study area, with mild levels of landscape fragmentation caused by heterogeneity in the aforementioned dimensions. (3) Mild fragmentation suggests the integrity and homogeneity of architectural landscape types, reflecting a lagging level of economic development, whereas high fragmentation signifies rapid economic development, leading to a substantial deterioration in the integrity and homogeneity of architectural landscape types. Therefore, efforts to preserve and develop traditional villages should not solely aim for low fragmentation as it could potentially constrain sustainable development.
Exploring intrinsic variability between cultured nasal and bronchial epithelia in cystic fibrosis
Authors: Rodenburg Lisa W. , Metzemaekers Mieke , van der Windt Isabelle S. , Smits Shannon M. A. , den Hertog-Oosterhoff Loes A. , Kruisselbrink Evelien , Brunsveld Jesse E. , Michel Sabine , de Winter-de Groot Karin M. , van der Ent Cornelis K. , Stadhouders Ralph , Beekman Jeffrey M. , Amatngalim Gimano D.
Published: October 2023

The nasal and bronchial epithelium are unified parts of the respiratory tract that are affected in the monogenic disorder cystic fibrosis (CF). Recent studies have uncovered that nasal and bronchial tissues exhibit intrinsic variability, including differences in mucociliary cell composition and expression of unique transcriptional regulatory proteins which relate to germ layer origin. In the present study, we explored whether intrinsic differences between nasal and bronchial epithelial cells persist in cell cultures and affect epithelial cell functioning in CF. Comparison of air–liquid interface (ALI) differentiated epithelial cells from subjects with CF revealed distinct mucociliary differentiation states of nasal and bronchial cultures. Moreover, using RNA sequencing we identified cell type-specific signature transcription factors in differentiated nasal and bronchial epithelial cells, some of which were already poised for expression in basal progenitor cells as evidenced by ATAC sequencing. Analysis of differentiated nasal and bronchial epithelial 3D organoids revealed distinct capacities for fluid secretion, which was linked to differences in ciliated cell differentiation. In conclusion, we show that unique phenotypical and functional features of nasal and bronchial epithelial cells persist in cell culture models, which can be further used to investigate the effects of tissue-specific features on upper and lower respiratory disease development in CF.
Water quality, human health risk, and pesticides accumulation in African catfish and Nile tilapia from the Kitchener Drain-Egypt
Authors: Metwally Ahmed A. , Khalafallah Malik M. , Dawood Mahmoud A. O.
Published: October 2023

Pesticides are toxic and could negatively impact humans and the ecosystem. The Kitchener Drain is among the longest drains in Egypt and carries a wide range of wastewater from the agriculture sector, which contains pesticides and may pollute the ecosystem. Thus, water quality, human health risk, and pesticide accumulation in African catfish and Nile tilapia from the Kitchener Drain-Egypt. The water and fish samples were collected from Kitchener Drain in Kafr Elsheikh Governorate, Egypt, during the four seasons. The results indicated that heptachlor and diazinon were undetected during the four seasons. However, endosulfan, chlorpyrifos, and dicofol were detected in winter and autumn. Only p,p′-DDT was detected during spring. Endosulfan, heptachlor, and aldrin were detected in Nile tilapia during winter. Only heptachlor and aldrin were detected during spring. Endosulfan, heptachlor, dicofol, p,p′-DDT, chlorpyrifos, and diazinon were detected in the autumn season. In summer, dicofol and p,p′-DDT were detected, while endosulfan, heptachlor p,p′-DDT, aldrin, chlorpyrifos, and diazinon were not detected. In African catfish, endosulfan, heptachlor, dicofol, and p,p′-DDT were detected during winter, while chlorpyrifos, aldrin, and chlorpyrifos, aldrin, and diazinon were not detected. In the spring season, endosulfan, heptachlor, and aldrin were detected. Endosulfan, heptachlor, dicofol, p,p′-DDT, aldrin, chlorpyrifos, and diazinon were detected in the autumn season. Similarly, in the summer season, endosulfan, heptachlor, dicofol, p,p′-DDT, aldrin, chlorpyrifos, and diazinon were detected. The sequence of estimated daily intake (EDI) in Nile tilapia during the four seasons is heptachlor > endosulfan > dicofol > p,p′-DDT > aldrin > diazinon > chlorpyrifos. The sequence of EDI in African catfish during the four seasons is endosulfan > p,p′-DDT > heptachlor > aldrin > dicofol > diazinon > chlorpyrifos. In conclusion, the results confirmed the absence of a hazard index for consuming Nile tilapia and African catfish collected from the Kitchener drain.
Languages with more speakers tend to be harder to (machine-)learn
Authors: Koplenig Alexander , Wolfer Sascha
Published: October 2023

Computational language models (LMs), most notably exemplified by the widespread success of OpenAI's ChatGPT chatbot, show impressive performance on a wide range of linguistic tasks, thus providing cognitive science and linguistics with a computational working model to empirically study different aspects of human language. Here, we use LMs to test the hypothesis that languages with more speakers tend to be easier to learn. In two experiments, we train several LMs—ranging from very simple n-gram models to state-of-the-art deep neural networks—on written cross-linguistic corpus data covering 1293 different languages and statistically estimate learning difficulty. Using a variety of quantitative methods and machine learning techniques to account for phylogenetic relatedness and geographical proximity of languages, we show that there is robust evidence for a relationship between learning difficulty and speaker population size. However, contrary to expectations derived from previous research, our results suggest that languages with more speakers tend to be harder to learn.
Thermally tunable electromagnetic surface waves supported by graphene loaded indium antimonide (InSb) interface
Authors: Yaqoob M. Z. , Ahamd Munir , Ghaffar A. , Razzaz F. , Saeed S. M. , Alanazi T. M.
Published: October 2023

The thermal agitation plays a vital role in tunability of optoelectronic, structural and chemical characteristics of the temperature sensitive materials. Graphene enables the THz optics, due to its unprecedent controlling characteristics over the traditional materials. The influence of temperature on the monolayer graphene is very negligible due to its low free charge carrier density, to enhance the thermal sensitivity of graphene, the graphene loaded temperature sensitive material interface has been proposed. A theoretical analysis has been carried out on temperature dependent propagation characteristics of electromagnetic surface waves supported by the graphene loaded semi-infinite indium antimonide (InSb). The InSb has been taken as temperature sensitive material. The Drude model has been used for the modeling of InSb in the THz region while the modeling of the graphene has been done by random phase approximation-based Kubo’s formulism. To realize the graphene loaded indium antimonide interface, the impedance boundary conditions (IBCs) have been employed. The numerical analysis has been conducted to analyze the influence of temperature on the characteristics of electromagnetic surface waves i.e., dispersion curve, effective mode index (Neff), penetration depth (δ), propagation length (Lp), phase speed (Vp) and field profile, propagating along the graphene loaded InSb. In all the numerical results, the temperature variation has been considered from 200 to 350 K. It has been concluded that the graphene–InSb interface provides more temperature assisted tunability to the interfacial surface modes, commonly known as surface waves, as compared to monolayer graphene. Further, the graphene parameters can play a vital role in the dynamical tuning of electromagnetic surface waves in THz to IR frequency range. The numerically computed results have potential applications in designing of thermo-optical waveguides, temperature assisted communication devices, thermo-optical sensors and near field thermal imaging platforms.
Long-term results on the suppression of secondary brain injury by early administered low-dose baclofen in a traumatic brain injury mouse model
Authors: Park Ji Young , Park Junwon , Baek Jiwon , Chang Jin Woo , Kim Young Goo , Chang Won Seok
Published: October 2023

Secondary injury from traumatic brain injury (TBI) perpetuates cerebral damages through varied ways. Attenuating neuroinflammation, which is a key feature of TBI, is important for long-term prognosis of its patients. Baclofen, a muscle relaxant, has shown promise in reducing excessive inflammation in other neurologic disorders. However, its effectiveness in TBI remains ambiguous. Thus, our study aimed to investigate whether early administration of baclofen could elicit potential therapeutic effects by diminishing exaggerated neuroinflammation in TBI mice. In this study, 80 C57BL/6 mice were used, of which 69 mice received controlled cortical impact. The mice were divided into six groups (11–16 mice each). Baclofen, administered at dose of 0.05, 0.2 and 1 mg/kg, was injected intraperitoneally a day after TBI for 3 consecutive weeks. 3 weeks after completing the treatments, the mice were assessed histologically. The results showed that mice treated with baclofen exhibited a significantly lower volume of lesion tissue than TBI mice with normal saline. Baclofen also reduced activated glial cells with neurotoxic immune molecules and inhibited apoptotic cells. Significant recovery was observed and sustained for 6 weeks at the 0.2 mg/kg dose in the modified neurological severity score. Furthermore, memory impairment was recovered with low-doses of baclofen in the Y-maze. Our findings demonstrate that early administration of low dose baclofen can regulate neuroinflammation, prevent cell death, and improve TBI motor and cognitive abnormalities.
Synergistic effects of grass competition and insect herbivory on the weed Rumex obtusifolius in an inundative biocontrol approach
Authors: Klötzli Julie , Suter Matthias , Schaffner Urs , Müller-Schärer Heinz , Lüscher Andreas
Published: October 2023

Outcomes of weed biological control projects are highly variable, but a mechanistic understanding of how top-down and bottom-up factors influence the success of weed biological control is often lacking. We grew Rumex obtusifolius, the most prominent native weed in European grasslands, in the presence and absence of competition from the grass Lolium perenne and subjected it to herbivory through targeted inoculation with root-boring Pyropteron spp. To explore whether the interactive effects of competition and inundative biological control were size-dependent, R. obtusifolius was planted covering a large range of plant sizes found in managed grasslands. Overall, competition from the grass sward reduced aboveground biomass and final root mass of R. obtusifolius about 62- and 7.5-fold, respectively, and increased root decay of R. obtusifolius from 14 to 58%. Herbivory alone increased only root decay. However, grass competition significantly enhanced infestation by Pyropteron spp. and, as a consequence, enhanced the impact of herbivory on aboveground biomass and final root mass. The synergistic effect was so strong that R. obtusifolius plants grown from initially smaller roots did no longer develop. Inoculating R. obtusifolius with Pyropteron species in grasslands should be further pursued as a promising inundative biological control strategy in the weed’s native range.
Module of Axis-based Nexus Attention for weakly supervised object localization
Authors: Sohn Junghyo , Jeon Eunjin , Jung Wonsik , Kang Eunsong , Suk Heung-Il
Published: October 2023

Weakly supervised object localization tasks remain challenging to identify and segment an entire object rather than only discriminative parts of the object. To tackle this problem, corruption-based approaches have been devised, which involve the training of non-discriminative regions by corrupting (e.g., erasing) the input images or intermediate feature maps. However, this approach requires an additional hyperparameter, the corrupting threshold, to determine the degree of corruption and can unfavorably disrupt training. It also tends to localize object regions coarsely. In this paper, we propose a novel approach, Module of Axis-based Nexus Attention (MoANA), which helps to adaptively activate less discriminative regions along with the class-discriminative regions without an additional hyperparameter, and elaborately localizes an entire object. Specifically, MoANA consists of three mechanisms (1) triple-view attentions representation, (2) attentions expansion, and (3) features calibration mechanism. Unlike other attention-based methods that train a coarse attention map with the same values across elements in feature maps, MoANA trains fine-grained values in an attention map by assigning different attention values to each element. We validated MoANA by comparing it with various methods. We also analyzed the effect of each component in MoANA and visualized attention maps to provide insights into the calibration.
Amyloidogenic 60–71 deletion/ValThr insertion mutation of apolipoprotein A-I generates a new aggregation-prone segment that promotes nucleation through entropic effects
Authors: Namba Norihiro , Ohgita Takashi , Tamagaki-Asahina Hiroko , Nishitsuji Kazuchika , Shimanouchi Toshinori , Sato Takeshi , Saito Hiroyuki
Published: October 2023

The N-terminal fragment of apolipoprotein A-I (apoA-I), comprising residues 1–83, contains three segments prone to aggregation: residues 14–22, 53–58, and 67–72. We previously demonstrated that residues 14–22 are critical in apoA-I fibril formation while residues 53–58 entropically drove the nucleation process. Here, we investigated the impact of amyloidogenic mutations (Δ60–71/VT, Δ70–72, and F71Y) located around residues 67–72 on fibril formation by the apoA-I 1–83 fragment. Thioflavin T fluorescence assay demonstrated that the Δ60–71/VT mutation significantly enhances both nucleation and fibril elongation rates, whereas the Δ70–72 and F71Y mutations had minimal effects. Circular dichroism measurements and microscopic observations revealed that all variant fragments formed straight fibrils, transitioning from random coils to β-sheet structures. Kinetic analysis demonstrated that primary nucleation is the dominant step in fibril formation, with fibril elongation reaching saturation at high protein concentrations. Thermodynamically, both nucleation and fibril elongation were enthalpically and entropically unfavorable in all apoA-I 1–83 variants, in which the entropic barrier of nucleation was almost eliminated for the Δ60–71/VT variant. Taken together, our results suggest the presence of new aggregation-prone segment in the Δ60–71/VT variant that promotes nucleation through entropic effects.
Thermal treatment of water-soluble particles formed by compounds composed of carbon nanobelts and C60 molecules
Authors: Kurosu Shunji , Hata Sayaca , Ukai Tomofumi , Mashiko Yuta , Choi Sieun , Minakawa Takanobu , Tanuma Yuri , Maekawa Toru
Published: October 2023

It was previously shown that spherical particles are self-assembled by compounds composed of C60-(6,6)CNB-C60, where CNB stands for “carbon nanobelt”, by mixing two individual solutions of C60 and (6,6)CNB molecules dissolved in 1,2-dichlorobenzene at room temperature. The particles are monodisperse in water thanks to their high absolute value of the zeta potential in water. In this report, we investigate the effect of thermal treatment of the particles on some changes in the physical properties and structures. We find that the particles become electrically conductive after thermal treatment at 600 °C for 1 h. We suppose that the change in the electrical characteristics might have been caused by the structural change of (6,6)CNBs into opened-up ribbons composed of fused benzene rings, which construct networks supported by C60 molecules in the particles, judging by the change in the absorption and mass spectra of the particles after thermal treatment and analysis of a possible change in the structure of C60-(6,6)CNB-C60 based on quantum chemical calculations employing the PM6 method, with which it is known that nanostructures such as carbon nanotubes (CNTs) and (6,6)CNBs can be correctly estimated.
Phosphatidylinositolmannoside vaccination induces lipid-specific Th1-responses and partially protects guinea pigs from Mycobacterium tuberculosis challenge
Authors: Eckhardt Emmelie , Schinköthe Jan , Gischke Marcel , Sehl-Ewert Julia , Corleis Björn , Dorhoi Anca , Teifke Jens , Albrecht Dirk , Geluk Annemieke , Gilleron Martine , Bastian Max
Published: October 2023

The concept of donor-unrestricted T cells (DURTs) comprises a heterogeneity of lymphoid cells that respond to an abundance of unconventional epitopes in a non-MHC-restricted manner. Vaccinologists strive to harness this so far underexplored branch of the immune system for new vaccines against tuberculosis. A particular division of DURTs are T cells that recognize their cognate lipid antigen in the context of CD1-molecules. Mycobacteria are characterized by a particular lipid-rich cell wall. Several of these lipids have been shown to be presented to T cells via CD1b-molecules. Guinea pigs functionally express CD1b and are hence an appropriate small animal model to study the role of CD1b-restricted, lipid-specific immune responses. In the current study, guinea pigs were vaccinated with BCG or highly-purified, liposome-formulated phosphatidylinositol-hexa-mannoside (PIM6) to assess the effect of CD1-restricted DURTs on the course of infection after virulent Mycobacterium tuberculosis (Mtb) challenge. Robust PIM6-specific T cell-responses were observed both after BCG- and PIM6-vaccination. The cellular response was significantly reduced in the presence of monoclonal, CD1b-blocking antibodies, indicating that a predominant part of this reactivity was CD1b-restricted. When animals were challenged with Mtb, BCG- and PIM6-vaccinated animals showed significantly reduced pathology, smaller necrotic granulomas in lymph node and spleen and reduced bacterial loads. While BCG conferred an almost sterile protection in this setting, compared to control animals’ lesions were reduced roughly by two thirds in PIM6-vaccinated. Comprehensive histological and transcriptional analyses in the draining lymph node revealed that protected animals showed reduced transcription-levels of inflammatory cyto- and chemokines and higher levels of CD1b-expression on professional antigen cells compared to controls. Although BCG as a comparator induced by far stronger effects, our observations in the guinea pig model suggest that CD1b-restricted, PIM6-reactive DURTs contribute to immune-mediated containment of virulent Mtb.
A randomized, clinical trial investigating the use of a digital intervention to reduce delirium-associated agitation
Authors: Nicholas Michelle , Wittmann Jessica , Norena Monica , Ornowska Marlena , Reynolds Steven
Published: October 2023

We aimed to determine if a novel digital therapeutic intervention could reduce agitation and unscheduled medication use in an adult delirious acute care population. Delirious participants were randomly allocated (1:1) to receive standard of care plus a single 4-hour exposure to the digital intervention “MindfulGarden”, which uses a screen-based delivery to display a nature landscape with dynamic adjustment of screen content in response to movement and sound or standard of care only. Between March 2021 and January 2022, 73 participants were enrolled with 70 completing the trial protocol and included in the final analysis with a mean age of 61 years and 68% being male (35 intervention, 35 control). Mean RASS was significantly lower across the 4-hour study period in the intervention arm 0.3 (0.85) vs 0.9 (0.93), p = 0.01. Exposure to a nature-based dynamic digital intervention showed benefits in agitation reduction.
Interfacial interaction promoted titanium oxide-based organic-inorganic nanoheterojunctions by chiral host-guest binding
Authors: Huang Juexin , Xia Jingyi , Baddi Sravan , Feng Chuanliang
Published: October 2023

Although titanium oxide (TiO2)-based organic-inorganic nanostructures attract increasing attention in energy fields, accurate regulation of close contact between TiO2 and organic components in nanostructures that determines their performance is still a critical task. Here, the interfacial interaction in TiO2-based organic-inorganic nanoheterojunctions is promoted by host-guest interactions, which are obtained through chiral recognition between chirality imprinted TiO2 and chiral organic molecules (L-PheAD), leading to their close contact. This close contact is due to the matching structure obtained from a multi-level chirality transfer between TiO2 and L-PheAD during molecular imprinting, facilitating the strong electronic coupling and resulting in a positive correlation between chiral signal intensity and the interface bonding strength in the nanoheterojunction. The tightly packed interface is further confirmed by the enhanced photocatalytic activity of TiO2-L-PheAD nanoheterojunctions. This work creates an opportunity to tailor the intimate contact between organic-inorganic interfaces based on host-guest systems with matched chiral space.
Probing the magnetic and magneto-optical properties of a radical-bridged Tb4 single-molecule magnet
Authors: Mavragani Niki , Kitos Alexandros A. , Gálico Diogo A. , Mansikkamäki Akseli , Murugesu Muralee
Published: October 2023

The presence of the 1,2,4,5-tetrazinyl radical (tz˙−) in a tetranuclear TbIII metallocence leads to strong magnetic coupling and slow magnetic relaxation. Magneto-optical studies complete the spectroscopical profile of this magnetic unity.
Eu3+ doped ZnAl layered double hydroxides as calibrationless, fluorescent sensors for carbonate
Authors: Morais Alysson F. , Silva Ivan G. N. , Ferreira Bruno J. , Teixeira Alexandre C. , Sree Sreeprasanth P. , Terraschke Huayna , Garcia Fernando A. , Breynaert Eric , Mustafa Danilo
Published: October 2023

In situ remote sensing of carbonate anions is enabled by incorporation of lanthanides in layered double hydroxides (LDHs). Quantification of carbonate immobilized in LDHs is here illustrated by following the visible luminescence of Eu3+-doped LDHs.
Yttrium atomically incorporated into Co(OH)F nanowires enables efficient electrochemical reduction of nitrate to ammonia
Authors: Yu Zuan , Ren Tianlun , Xie Jiangwei , Yu Hongjie , Deng Kai , Wang Ziqiang , Wang Hongjing , Wang Liang , Xu You
Published: October 2023

Yttrium atomically incorporated into Co(OH)F nanowires could enhance nitrate adsorption on the catalyst surface and enable efficient electrochemical reduction of nitrate to ammonia.
A Ti3C2Tx@PANI core–shell heterostructure assembled into a 3D porous hydrogel as a free-standing electrode for high-energy supercapacitors
Authors: Liao Peng , Song Jian , Qiu Zenghui , Wen Cheng , Zhang Xin , Guo Lin , Xu Haijun
Published: October 2023

A high-energy supercapacitor device based on 3D free-standing Ti3C2Tx@PANI-RGO heterostructure hydrogel electrodes is assembled.
Inhibition of phase transition from δ-MnO2 to α-MnO2 by Mo-doping and the application of Mo-doped MnO2 in aqueous zinc-ion batteries
Authors: Liu Yubin , Chen Wenjie , Su Jingjing , Zhao Xiaojing , Pan Xiaoyang
Published: October 2023

It is found that the doping of Mo inhibits the phase transition from δ-MnO2 to α-MnO2 in a hydrothermal process. Furthermore, Mo-doped MnO2 nanosheets exhibit good electrochemical properties for aqueous zinc-ion batteries.
Rashba effect: a chemical physicist's approach
Authors: Szary Maciej J.
Published: October 2023

Understanding the mechanisms underlying the emergence of giant spin splitting (GSS) is fundamental in the pursuit of more robust strategies for designing materials with desired spin splitting.
Self-assembly synthesis of hollow phosphorus-doped graphitic carbon nitride microboxes for the photodegradation of organic pollutants
Authors: Cheng Si , Miao Lifeng , Xue Kunze , Bao Zhenhong , Liang Jian , Li Xiaohong , Zhu Wenjun , Chen Yunxia , Yu Yongzhi
Published: October 2023

Hollow phosphorus-doped g-C3N4 microboxes were successfully synthesized by molecular self-assembly followed by a heat treatment method based on the orthogonal test.
Elucidating the intimate mechanism of NAD+ hydrogenation with phosphonic acid catalysed by Cp*Ir(pyridine-2-sulfonamidate) complexes
Authors: Tensi Leonardo , Rocchigiani Luca , Menendez Rodriguez Gabriel , Mosconi Edoardo , Zuccaccia Cristiano , De Angelis Filippo , Macchioni Alceo
Published: October 2023

Cp*Ir(pyridine-2-sulfonamidate) complexes undergo pyridine displacement when catalysing nicotine amide dinucleotide hydrogenation in the presence of phosphonic acid, thus explaining the molecular origin of their improved performance.
Multifunctional applications of amino functionalized Ti3C2Tx: high flux oil/water separation and dye removal
Authors: Liu Zhen-Hui , Cai Wei-Qiu , Wang Qing-Ming , Lü Qiu-Feng
Published: October 2023

Amino functionalized Ti3C2Tx was successfully prepared by modifying the intercalated Ti3C2Tx surface with N-[3-(trimethoxysilyl)propyl] ethylenediamine, enriching the application of Ti3C2Tx in oil/water separation and dye removal.
Data-driven machine learning prediction of glass transition temperature and the glass-forming ability of metallic glasses
Authors: Zhang Jingzi , Zhao Mengkun , Zhong Chengquan , Liu Jiakai , Hu Kailong , Lin Xi
Published: October 2023

The data-driven machine learning approach has greatly improved the predictive accuracy of Tg and Dmax values. The governing rules for GFA have been successfully established through feature significance analysis.
One-pot access to 11-methyl-6H-indolo[2,3-b]quinolines via iodine-mediated annulation of indoles with 2-vinylanilines and evaluation of their biological activities
Authors: Yan Jinglan , Fang Zeguo , Su Jianglong , He Qun , Al-Maharik Nawaf , Zhang Qian , Wei Yanhong , Li Dong
Published: October 2023

A simple, straightforward and efficient method for the synthesis of a series of 11-methyl-6H-indolo[2,3-b]quinolines bearing different substituents on the indole and quinoline rings is described.
Facile fabrication of plasmonic Ag/ZIF-8: an efficient catalyst for investigation of antibacterial, haemolytic and photocatalytic degradation of antibiotics
Authors: Subhadarshini Asima , Samal Sangram Keshari , Pattnaik Ananya , Nanda Binita
Published: October 2023

Schematic illustration of photocatalytic activity, antibacterial activity and haemolytic activity of reduced Ag/ZIF-8.
Pathogen inhibition and indication by gelatin nonwoven mats with incorporation of polyphenol derivatives
Authors: Bai By Meng-Yi , Wang Ting-Teng , Chen Xin-An , Wu Chia-Chun
Published: October 2023

GgC nonwoven mats shows a real-time indication of pathogen levels in the surrounding air by color change (white to brown).
Photochemical reduction of CO2 into CO coupling with triethanolamine decomposition
Authors: Li Zhen , Yang Caili , Su Yingshi , Cheng Yonghui , Cui Yanjia , Liu Suyao , Fang Yiwen
Published: October 2023

CO2 can be converted into CO coupling with the decomposition of triethanolamine in TEOA aqueous solution without other additives under light irradiation. About 7.5 μmol CO product is achieved within 7 h with a maximum AQY of 0.171% at 254 nm.
Insights into the local structure evolution and thermophysical properties of NaCl–KCl–MgCl2–LaCl3 melt driven by machine learning
Authors: Zhao Jia , Feng Taixi , Lu Guimin , Yu Jianguo
Published: October 2023

The local structure evolution and thermophysical properties of the NaCl–KCl–MgCl2–LaCl3 melt were thoroughly understood, which facilitates the advancement and innovation of molten salt electrolytic production for Mg–La alloys.
An extracellular matrix mimicking alginate hydrogel scaffold manipulates an inflammatory microenvironment and improves peripheral nerve regeneration by controlled melatonin release
Authors: Wang Xu , Yao Xiangyun , Sun Ziyang , Jin Yi , Yan Zhiwen , Jiang Huiquan , Ouyang Yuanming , Yuan Wei-En , Wang Chunyang , Fan Cunyi
Published: October 2023

A schematic diagram of scaffold fabrication and implantation in vivo. The scaffold can effectively restore the ECM-like microenvironment and improve the quality of nerve regeneration by controlled melatonin release.
Fluorescent biosensors illuminate the spatial regulation of cell signaling across scales
Authors: Lyons Anne C. , Mehta Sohum , Zhang Jin
Published: October 2023

As cell signaling research has advanced, it has become clearer that signal transduction has complex spatiotemporal regulation that goes beyond foundational linear transduction models. Several technologies have enabled these discoveries, including fluorescent biosensors designed to report live biochemical signaling events. As genetically encoded and live-cell compatible tools, fluorescent biosensors are well suited to address diverse cell signaling questions across different spatial scales of regulation. In this review, methods of examining spatial signaling regulation and the design of fluorescent biosensors are introduced. Then, recent biosensor developments that illuminate the importance of spatial regulation in cell signaling are highlighted at several scales, including membranes and organelles, molecular assemblies, and cell/tissue heterogeneity. In closing, perspectives on how fluorescent biosensors will continue enhancing cell signaling research are discussed.
Biochemical investigations of polyphenol degradation enzymes in the phototrophic bacterium Rubrivivax gelatinosus
Authors: Cui Mengyu , Wei Yifeng , Tan Jason , Li Tong , Jiao Xinan , Zhou Yan
Published: October 2023

Phloroglucinol (1,3,5-trihydroxybenzene) is an important intermediate in the degradation of flavonoids and tannins by anaerobic bacteria. Recent studies have shed light on the enzymatic mechanism of phloroglucinol degradation in butyrate-forming anaerobic bacteria, including environmental and intestinal bacteria such as Clostridium and Flavonifractor sp. Phloroglucinol degradation gene clusters have also been identified in other metabolically diverse bacteria, although the polyphenol metabolism of these microorganisms remain largely unexplored. Here, we describe biochemical studies of polyphenol degradation enzymes found in the purple non-sulfur bacterium Rubrivivax gelatinosus IL144, an anaerobic photoheterotroph reported to utilize diverse organic compounds as carbon sources for growth. In addition to the phloroglucinol reductase and dihydrophloroglucinol cyclohydrolase that catalyze phloroglucinol degradation, we characterize a Mn2+-dependent phloretin hydrolase that catalyzes the cleavage of phloretin into phloroglucinol and phloretic acid. We also report a Mn2+-dependent decarboxylase (DeC) that catalyzes the reversible decarboxylation of 2,4,6-trihydroxybenzoate to form phloroglucinol. A bioinformatics search led to the identification of DeC homologs in diverse soil and gut bacteria, and biochemical studies of a DeC homolog from the human gut bacterium Flavonifractor plautii demonstrated that it is also a 2,4,6-trihydroxybenzoate decarboxylase. Our study expands the range of enzymatic mechanisms for phloroglucinol formation, and provides further biochemical insight into polyphenol metabolism in the anaerobic biosphere.
Evaluating the Effect of Voice Quality Covariance on Auditory-Perceptual Evaluation Using a Novel Two-Dimensional Magnitude Estimation Task
Authors: Anand Supraja , Park Yeonggwang , Shrivastav Rahul , Eddins David A.
Published: October 2023

Purpose:

Most people with dysphonia present with voices that vary along more than one voice quality (VQ) dimension. This study sought to examine the effect of covariance between breathy and rough VQ in natural voices.

Method:

A two-dimensional matrix of 16 /a/ vowels was selected such that two VQ dimensions (breathiness and roughness) were sampled on a 4-point severity scale (none, mild, moderate, and severe). Ten listeners evaluated 480 stimuli (16 stimuli × 10 repetitions × 3 blocks) on one-dimensional magnitude estimation (1DME) tasks and a novel two-dimensional magnitude estimation (2DME) task that allowed for simultaneous measurement of breathiness and roughness.

Results:

Data indicated high intra- and interrater reliabilities for both breathiness and roughness in the 2DME and 1DME tasks. Correlation analyses revealed a strong correlation between 2DME and 1DME judgments for breathiness and roughness (
r
> .95). There was also a minimal correlation between breathy and rough VQ in the 2DME task (
r
< .10).

Conclusions:

Covarying roughness or breathiness had less impact on the perception of the other VQ in natural dysphonic voices in 2DME compared to 1DME. An understanding and quantification of the perceptual interactions among the dimensions will aid in the refinement of computational models and in the establishment of the validity of clinical scales for VQ perception.
Dopamine‐D2 Actions on Voltage‐Dependent Calcium Current and Gonadotropin‐II Secretion in Cultured Goldfish Gonadotrophs
Authors: Van Goor Fredrick , Goldberg Jeffrey I , Chang John P
Published: October 2023

Dopamine D2‐receptor activation directly inhibits GnRH‐induced gonadotropin‐II (maturational gonadotropin, GTH‐II) secretion from goldfish pituitary cells. In this study, we show that dopamine and its D2 agonist, quinpirole, reduced GTH‐II secretion induced by either high extracellular K+ concentration or the voltage‐gated Ca2+ channel agonist, Bay K 8644. These actions of dopamine were blocked by addition of the dopamine D2‐receptor antagonist, spiperone. The actions of dopamine on Ca2+ current in single identified goldfish gonadotrophs were assessed in voltage‐clamp experiments using Ba2+ as the charge carrier through voltage‐gated Ca2+ channels. Dopamine caused a concentration‐dependent reduction in Ba2+ current amplitude with an EC50 of 1.0±0.3 nM, but did not shift the current‐voltage relationship. The D2 agonist quinpirole also caused a dose‐dependent reduction in the Ba2+ current amplitude with an EC50 of 2.7±1.4 nM. Quinpirole slowed the activation and inactivation kinetics, as well as removing the steady‐state inactivation properties of the Ba2+ current. In contrast to the actions of quinpirole, the dopamine D1‐receptor agonist, SKF 38393, did not affect the Ba2+ current. The inhibitory action of dopamine on voltage‐dependent Ca2+ currents was reversed by spiperone, but not by the D1 antagonist SKF 83566. Voltage‐dependent Na+ and K+ currents were not affected by dopamine or dopamine agonists. These data indicate that dopamine D2‐receptor activation reduces Ca2+ influx through voltage‐dependent Ca2+ channels to inhibit GTH‐II secretion.
Stochastic pre‐disaster planning and post‐disaster restoration to enhance distribution system resilience during typhoons
Authors: Hou Hui , Tang Junyi , Zhang Zhiwei , Wu Xixiu , Wei Ruizeng , Wang Lei , He Huan
Published: October 2023

In recent years, extreme weather events, such as typhoons, have led to large‐scale power outages in distribution systems. As a result, developing strategies to bolster distribution system resilience has become imperative. This paper proposes a two‐stage stochastic programming model aimed at enhancing this resilience. Prior to a typhoon, the first stage establishes a comprehensive wind field model based on extreme value distribution for accurate wind speed predictions. Simultaneously, a refined stress–strength interference model is used to determine the likelihood of distribution line failures. Taking into account the uncertainty of line damage, repair crews and mobile emergency generators are then strategically positioned at staging depots. Following the typhoon, the second stage coordinates network reconfiguration, dispatches repair crews, and mobilizes mobile emergency generators to minimize load shedding and expedite repairs. This model was validated on the IEEE 33‐bus distribution system, coupled with a corresponding transportation network, utilizing data from the 2018 super typhoon ‘Mangkhut’ in China. Simulations indicate that our approach can effectively reduce load shedding and power outage durations, thereby enhancing the resilience of distribution systems.
Fast and accurate method for sub‐synchronous oscillation detection
Authors: Abdeen Mohamed , El‐Sayed Loai Mohamed Ali , Diab Ahmed A. Zaki , Abdul‐Ghaffar Hussien I.
Published: October 2023

Detection of sub‐synchronous oscillation (SSO) accurately within a short time poses a big challenge to avoiding the potential risks of the SSO phenomenon. This paper proposes a novel technique for detecting the SSO phenomenon based on identifying the SSO frequency and magnitude rather than applying fast Fourier transform. The voltage magnitude signal is used as an input signal. The SSO magnitude is identified based on estimating the max value of the voltage magnitude signal, whereas the time corresponding to the zero crossings is defined for calculating the SSO frequency. In order to confirm its effectiveness, the proposed technique is tested with different SSO types (induction generator effect, torsional interaction, and sub‐synchronous control interaction). Moreover, the impact of the series compensation level change on the proposed method performance is investigated. The results prove the effectiveness and the speed of the proposed method in all studied cases. Compared to the traditional methods within a wide range of compensation levels, the proposed technique is fast and accurate. The IEEE first benchmark model is adapted with a doubly‐fed induction generator in the MATLAB program to analyze the performance of the proposed method for detecting the SSO phenomenon.