Miracle-dz/UniFAR-FTUs huggingface dataset:
Zeeman effects on Yu-Shiba-Rusinov states

When the exchange interaction between the impurity spin and the spins of itinerant quasiparticles are strong or weak enough, the ground states for a magnetic impurity in a superconductor are the screened or free spins, respectively. In both cases, the lowest excited state is a bound state within the superconducting gap, known as the Yu-Shiba-Rusinov (YSR) state. The YSR state is spatially localized, energetically isolated, and fully spin-polarized, leading to applications such as functional scanning probes. While any application demands identifying whether the impurity spin is screened or free, a suitable experimental technique has been elusive. Here we demonstrate an unambiguous way to determine the impurity ground state using the Zeeman effect. We performed ultra-low temperature scanning tunneling spectroscopy of junctions formed between a Cu(111) surface and superconducting Nb tips decorated by single magnetic Fe atoms. Depending on the condition of the Fe adsorbate, the YSR peak in the spectrum either splits or shifts in a magnetic field, signifying that the Fe spin is screened or free, respectively. Our observations provide renewed insights into the competition between magnetism and superconductivity and constitute a basis for the applications of the YSR state.
Maker-Breaker metric resolving games on graphs

Let $d(x,y)$ denote the length of a shortest path between vertices $x$ and $y$ in a graph $G$ with vertex set $V$. For a positive integer $k$, let $d_k(x,y)=\min\{d(x,y), k+1\}$ and $R_k\{x,y\}=\{z\in V: d_k(x,z) \neq d_k(y,z)\}$. A set $S \subseteq V$ is a \emph{distance-$k$ resolving set} of $G$ if $S \cap R_k\{x,y\} \neq\emptyset$ for distinct $x,y\in V$. In this paper, we study the maker-breaker distance-$k$ resolving game (MB$k$RG) played on a graph $G$ by two players, Maker and Breaker, who alternately select a vertex of $G$ not yet chosen. Maker wins by selecting vertices which form a distance-$k$ resolving set of $G$, whereas Breaker wins by preventing Maker from winning. We denote by $O_{R,k}(G)$ the outcome of MB$k$RG. Let $\mathcal{M}$, $\mathcal{B}$ and $\mathcal{N}$, respectively, denote the outcome for which Maker, Breaker, and the first player has a winning strategy in MB$k$RG. Given a graph $G$, the parameter $O_{R,k}(G)$ is a non-decreasing function of $k$ with codomain $\{-1=\mathcal{B}, 0=\mathcal{N}, 1=\mathcal{M}\}$. We exhibit pairs $G$ and $k$ such that the ordered pair $(O_{R,k}(G), O_{R, k+1}(G))$ realizes each member of the set $\{(\mathcal{B}, \mathcal{N}),(\mathcal{B}, \mathcal{M}),(\mathcal{N},\mathcal{M})\}$; we provide graphs $G$ such that $O_{R,1}(G)=\mathcal{B}$, $O_{R,2}(G)=\mathcal{N}$ and $O_{R,k}(G)=\mathcal{M}$ for $k\ge3$. Moreover, we obtain some general results on MB$k$RG and study the MB$k$RG played on some graph classes.
Estimating Sparse Sources from Data Mixtures using Maxima in Phase Space Plots

In Blind Source Separation (BSS), one estimates sources from data mixtures where the mixing coefficients are unknown. In the particular case of Sparse Component Analysis (SCA), each underlying source exists for only a finite amount of time when other sources are negligible. In this paper, one approach to SCA is presented where the data are represented using phase space analysis and one estimates the main source from the maximum in the phase plot. Deflation is used to estimate the other sources. The proposed method is tested on simulated data and experimental ECG data taken from an expectant mother. It is shown that, in most cases, the performance of the proposed method is comparable to that of Principal Component Analysis (PCA) and FastICA for clean data. In the case of noisy data, PCA is found to be more robust for higher noise levels. For situations where the sources have coincident peaks, the method breaks down as expected, as the maximum in the phase plot does not correspond to an individual source.
Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of characterizing 3D geometry and thus defective for downstream 3D tasks. In this work, we tackle 3D molecular pretraining in a complete and novel sense. In particular, we first propose to adopt an equivariant energy-based model as the backbone for pretraining, which enjoys the merits of fulfilling the symmetry of 3D space. Then we develop a node-level pretraining loss for force prediction, where we further exploit the Riemann-Gaussian distribution to ensure the loss to be E(3)-invariant, enabling more robustness. Moreover, a graph-level noise scale prediction task is also leveraged to further promote the eventual performance. We evaluate our model pretrained from a large-scale 3D dataset GEOM-QM9 on two challenging 3D benchmarks: MD17 and QM9. Experimental results demonstrate the efficacy of our method against current state-of-the-art pretraining approaches, and verify the validity of our design for each proposed component. Code is available at https://github.com/jiaor17/3D-EMGP.
Chlorogenic acid: A dietary phenolic acid with promising pharmacotherapeutic potential.

Phenolic acids are now receiving a great deal of interest as pervasive human dietary constituents that have various therapeutic applications against chronic and age-related diseases. One such phenolic acid that is being utilized in traditional medicine is chlorogenic acid (CGA). It is one of the most readily available phytochemicals that can be isolated from the leaves and fruits of plants such as coffee beans (CoffeaarabicaL.), apples (Malus spp.), artichoke (Cynara cardunculus L.), carrots (Daucus carota L.), betel (Piper betle L.), burdock (Arctium spp.) and so on. Despite its low oral bioavailability (about 33%), CGA has drawn considerable attention due to its wide range of biological activities and numerous molecular targets.Several studies have reported that the antioxidant and antiinflammatory potential of CGA mainly account for its broad-spectrum pharmacological attributes. CGA has been implicated in exerting beneficial role against dysbiosis by encouraging the growth of beneficial GUT microbes. At biochemical level its therapeutic action is mediated by free radical scavenging efficacy, modulation of glucose and lipid metabolism, down-regulation of proinflammatory cytokines such as tumor necrosis factor alpha (TNF-α),interleukin-6 (IL-6), IL-1β, and interferon gamma (IFN-γ), upregulation of nuclear factor erythroid 2-related factor 2 (Nrf-2) and inhibition ofthe activity of nuclear factor- κβ (NF-κβ) and thus help inmanagement of diabetes, cardiovascular diseases, neurodegenerative disorder, cancer, hypertension etc. This review highlights the natural sources of CGA, its bioavailability, metabolism, pharmacotherapeutic potential and underlying mechanisms of action for clinical usefulness of CGA in the management of health disorders.
Long-term effect of a GnRH-based immunocontraceptive on feral cattle in Hong Kong

Increasing human-wildlife conflicts worldwide are driving the need for multiple solutions to reducing “problem” wildlife and their impacts. Fertility control is advocated as a non-lethal tool to manage free-living wildlife and in particular to control iconic species. Injectable immunocontraceptives, such as GonaCon, stimulate the immune system to produce antibodies against the gonadotrophin-releasing hormone (GnRH), which in turn affects the release of reproductive hormones in mammals. Feral cattle (Bos indicus or Bos taurus) in Hong Kong are an iconic species whose numbers and impacts on human activities have increased over the last decade. Previous studies have proven that a primer vaccination and booster dose of GonaCon in female cattle are safe and effective in reducing pregnancy levels one year post-treatment. The aims of this project were 1. to evaluate the longevity of the effect of GonaCon in feral cattle up to four years post-vaccination; and 2. to assess if a second booster dose of GonaCon, administered at either two or four years post-vaccination, extends the contraceptive effect in this species. Vaccination with GonaCon, administered as a primer and booster dose, was effective in causing significant infertility in free-living cattle for at least three years post-vaccination, with the percentage of pregnant animals in the vaccinated group decreasing from 76% at vaccination to 35%, 19% and 7% in years 2, 3 and 4 post-vaccination, compared with 67% at vaccination to 50%, 57% and 14% respectively in the control group. A second booster dose of GonaCon administered either 2 or 4 years after vaccination rendered 100% of the Treated cattle infertile for at least another year. These results suggested that vaccination with GonaCon can reduce feral cattle population growth and that a second booster dose can extend the longevity of the contraceptive effect.
Role of S protein transmembrane domain mutations in the development of occult hepatitis B virus infection

ABSTRACT Occult HBV infection (OBI) is a special infection status during Hepatitis B virus (HBV) infection. The underlying mechanism of its occurrence remains unclear. This study conducted sequencing analysis on 104 OBI plasma samples and 524 HBsAg positive samples from 29 blood centres, and searched for high-frequency mutations in transmembrane domain (TMD) of S protein in the OBI population. Plasmids with TMD high-frequency mutations were constructed, in vivo and in vitro functional experiments were performed to investigate possible molecular mechanisms of OBI occurrence. We found 22 high-frequency TMD mutations in genotype B OBI strains. Among them, five mutations can lead to impairment of HBsAg secretion; seven mutations had accumulated intracellular HBsAg while extracellular HBsAg didn’t decrease compared to wildtype. This study chose C85R from TMD2, F220C, and F220Y from TMD4 for further exploration. Protein structure predication showed these three mutant HBsAg displayed changed hydrophilic properties and tended to accumulate in the phospholipid bilayer of cell membrane. Mutant HBsAg’s secretion disorder may induce OBI. On the other hand, V168A + V177A from TMD3 expressed increased HBsAg both in intracellular and extracellular levels. This mutation had most unstable natural conformation and may be inclined to transition into V177A or V168A + S174N + V177A. These three mutations were more prone to mixed infection, presenting a state of coexistence, thus approaching the impaired secretion pattern of OBI. This study demonstrated TMD mutations could contribute to the occurrence of OBI and provided a theoretical basis for OBI study and the functional cure of chronic hepatitis B virus infection. GRAPHICAL ABSTRACT
In Vivo Measurements of the Bulk Ultrasonic Attenuation Coefficient of Breast Tissue Using a Novel Phase-Insensitive Receiver

This study describes the first in vivo acoustic attenuation measurements of breast tissue undertaken using a novel phase-insensitive detection technique employing a differential pyroelectric sensor. The operation of the sensor is thermal in nature, with its output signal being dictated by the acoustic power integrated over its surface. The particularly novel feature of the sensor lies in its differential principle of operation, which significantly enhances its immunity to background acoustic and vibration noise. A large area variant of the sensor was used to detect ultrasonic energy generated by an array of 14 discrete 3.2-MHz plane piston transducers, transmitted through pendent breasts in water. The transduction and reception capability represent key parts of a prototype Quantitative Ultrasound Computed Tomography Test Facility developed at the National Physical Laboratory to study the efficacy of phase-insensitive ultrasound computed tomography of breast phantoms containing a range of appropriate inclusions, in particular, the measurement uncertainties associated with quantitative reconstructions of the acoustic attenuation coefficient. For this study, attenuation coefficient measurements were made using 1-D projections on 12 nominally healthy study volunteers, whose age ranged from 19 to 65 years. Averaged or bulk attenuation coefficient values were generated in the range 1.7–4.6 dBcm $^{-{1}}$ at 3.2 MHz and have been compared with existing literature, derived from in vivo and ex vivo studies. Results are encouraging and indicate that the relatively simple technique could be applied as a robust method for assessing the properties of breast tissue, particularly the balance of fatty (adipose) and fibroglandular components.
Decoupled Cross-Modal Phrase-Attention Network for Image-Sentence Matching

The mainstream of image and sentence matching studies currently focuses on fine-grained alignment of image regions and sentence words. However, these methods miss a crucial fact: the correspondence between images and sentences does not simply come from alignments between individual regions and words but from alignments between the phrases they form respectively. In this work, we propose a novel Decoupled Cross-modal Phrase-Attention network (DCPA) for image-sentence matching by modeling the relationships between textual phrases and visual phrases. Furthermore, we design a novel decoupled manner for training and inferencing, which is able to release the trade-off for bi-directional retrieval, where image-to-sentence matching is executed in textual semantic space and sentence-to-image matching is executed in visual semantic space. Extensive experimental results on Flickr30K and MS-COCO demonstrate that the proposed method outperforms state-of-the-art methods by a large margin, and can compete with some methods introducing external knowledge.
Efficacy and safety of co‐crystal of tramadol‐celecoxib (CTC) in acute moderate‐to‐severe pain after abdominal hysterectomy: A randomized, double‐blind, phase 3 trial (STARDOM2)

STARDOM2 is a randomized, double‐blind, phase 3 trial evaluating the efficacy and safety of co‐crystal of tramadol‐celecoxib (CTC)—a first‐in‐class analgesic co‐crystal comprising racemic tramadol hydrochloride and celecoxib in a supramolecular network that modifies their pharmacokinetic properties—for the management of acute postoperative pain (NCT03062644; EudraCT:2016–000593‐38).
A biomimetic three-layered fibrin gel/PLLA nanofibers composite as a potential scaffold for articular cartilage tissue engineering application

Developing an engineered scaffold inspired by structural features of healthy articular cartilage (AC) has attracted much attention. In this study, the design and fabrication of a three-layered fiber/hydrogel scaffold in which each layer replicates the organization of a pertinent layer of AC tissue is aimed. To this end, electrospun poly-L-lactic acid (PLLA) nanofibers are prepared and fragmented into nano/micro cylinders via aminolysis. Three-layers of the scaffold, a fibrin coated fibrous layer, a fibrin gel (FG) layer incorporating chopped fibers and a FG embedding cylindrical aligned fibrous mat perpendicular to articulating surface, respectively served as an upper, middle and bottom layers, are prepared. The layers’ physicomechanical characteristics are comprehensively evaluated. Results show that optimized electrospinning set up results in the smallest fibers diameter of 367 ± 317 nm and successful aminolysis provides amine-functionalized chopped nanofibers with a mean length of 1.46 ± 0.9 µm. Static mechanical analysis of the layers demonstrates that tensile Young’s modulus of the upper layer is 152 ± 17 MPa while compressive moduli of the middle and bottom layers are 9.8 ± 3.8 and 25.3 ± 5.2 KPa, respectively and the compressive modulus of three-layered scaffold is 13.7 ± 2.5 KPa. Assessing mechanical parameters under dynamic loading also shows that adding fibrous part in the composite scaffold layers enhances viscoelastic behavior of FG. Also, incorporation of 0.25% chopped fibers into the fibrin matrix notably enhances the equilibrium water content; however, it increases in-vitro weigh loss rate from 6% to 10.5% during a seven-day period. Cytocompatibility analysis confirms that all layers possess acceptable cytocompatibility. In a conclusion, the designed three-layered composite structure successfully mimics the physicomechanical as well as microstructural features of AC and could be suggested as a potential scaffold for this tissue regeneration.
Husbands’ concerns and experiences with the progesterone vaginal ring in three sub-Saharan African countries: a mixed methods study

Abstract The introduction of progesterone vaginal ring (PVR) in sub-Saharan Africa calls for insights on the product’s role in promoting women’s autonomy regarding their reproductive decision-making and behaviour. Such insights could inform the positioning of the method within family planning programmes in the region. In this paper, we explore husbands’ experiences with PVR as perceived by their wives and as reported by husbands of a subset of women users in Kenya, Nigeria, and Senegal. We discuss how such experiences might influence women’s rights and autonomy regarding their reproductive decisions and contraceptive behaviour. We use a mixed-methods approach drawing on data from quantitative interviews with 174 women and qualitative in-depth interviews with 10 husbands of a subset of the women in the three countries. The findings show that husbands appreciated PVR’s attributes relating to user-control (women could insert and remove the method themselves), ease of use, and non-interference with sex and flow of breast milk. Wives’ perceptions of their husbands’ experiences regarding PVR’s non-interference with sex were consistent with the husbands’ own reports. In addition, health care providers played important roles in supporting sustainable use of the method through giving information, counselling, and assisting women who experienced ring slippage to manage those challenges. The findings suggest that self-managed health technologies such as PVR could expand women’s choices and control over their reproductive decisions. The findings further suggest that sustainable use of such products could require linkages with appropriate health systems structures to address challenges with use if and when they arise.
Interaction of panduratin A and derivatives with the SARS-CoV-2 main protease (mpro): a molecular docking study

Abstract Panduratin A (Pa-A) is a prenylated cyclohexenyl chalcone isolated from the rhizomes of the medicinal and culinary plant Boesenbergia rotunda (L.) Mansf. , commonly called fingerroots. Both an ethanolic plant extract and Pa-A have shown a marked antiviral activity against the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), responsible for the COVID-19 pandemic disease. Pa-A functions as a protease inhibitor inhibiting infection of human cells by the virus. We have modeled the interaction of Pa-A, and 26 panduratin analogues with the main protease (Mpro) of SARS-CoV-2 using molecular docking. The natural product 4-hydroxypanduratin showed a higher Mpro binding capacity than Pa-A and isopanduratin A. The interaction with MPro of all known panduratin derivatives (Pa-A to Pa-Y) have been compared, together with more than 60 reference products. Three compounds emerged as potential robust MPro binders: Pa-R, Pa-V, Pa-S, with a binding capacity significantly higher than 4-OH-Pa-A and Pa-A. The empirical energy of interaction (ΔE) calculated with the best compound in the panduratin series, Pa-R bound to Mpro, surpassed that measured with the top reference protease inhibitors such a ruprintrivir, lufotrelvir, and glecaprevir. Structure–binding relationships are discussed. Compounds with a flavanone moiety (PA-R/S) are the best binders, better than those with a chromene unit (Pa-F/G). The extended molecules (such as Pa-V) exhibit good Mpro binding, but the dimeric compound Pa-Y is too long and protrudes outside the binding cavity. The work provides novel ideas to guide the design of new molecules interacting with Mpro. Communicated by Ramaswamy H. Sarma Highlights Panduratin A is the main bioactive molecule in extracts of the medicinal plant Boesenbergia rotunda. Extracts of B. rotunda and Pa-A have shown activity against the virus SARS-CoV-2. We modeled the interaction of 27 panduratin derivatives with the main protease (Mpro) of the virus. Three molecules (Pa-R/V/S) revealed high Mpro binding capacity compared to reference compounds. Structure–binding relationships are discussed, to guide the design of compounds to treat COVID-19.
Nonproductive exposure of PBMCs to SARS‐CoV‐2 induces cell‐intrinsic innate immune responses

Cell‐intrinsic responses mounted in PBMCs during mild and severe COVID‐19 differ quantitatively and qualitatively. Whether they are triggered by signals emitted by productively infected cells of the respiratory tract or result from physical interaction with virus particles remains unclear. Here, we analyzed susceptibility and expression profiles of PBMCs from healthy donors upon ex vivo exposure to SARS‐CoV and SARS‐CoV‐2. In line with the absence of detectable ACE2 receptor expression, human PBMCs were refractory to productive infection. RT–PCR experiments and single‐cell RNA sequencing revealed JAK/STAT‐dependent induction of interferon‐stimulated genes (ISGs) but not proinflammatory cytokines. This SARS‐CoV‐2‐specific response was most pronounced in monocytes. SARS‐CoV‐2‐RNA‐positive monocytes displayed a lower ISG signature as compared to bystander cells of the identical culture. This suggests a preferential invasion of cells with a low ISG baseline profile or delivery of a SARS‐CoV‐2‐specific sensing antagonist upon efficient particle internalization. Together, nonproductive physical interaction of PBMCs with SARS‐CoV‐2‐ and, to a much lesser extent, SARS‐CoV particles stimulate JAK/STAT‐dependent, monocyte‐accentuated innate immune responses that resemble those detected in vivo in patients with mild COVID‐19.
Evaluation methodology for license plate recognition systems and experimental results

Two of the most critical requirements for the development of license plate recognition (LPR) systems are a comprehensive database of license plate images and a testing procedure to evaluate the system. This study addresses both issues through the LPR system test (LPRST), which establishes the first performance benchmark for the LPR system. There are three important parts in the study: (i) the comprehensive, structured and labelled license plate image database is established, which is openly available to researchers; (ii) the first technical evaluation protocol for the LPR system is established, in which the testing technology has a corresponding relation to the testing image label; (iii) the LPRST is the first open technical performance evaluation of commercial systems, which identify the strengths and weakness of the existing systems, and the future areas of research in the field of LPR.