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Bruton tyrosine kinase (BTK) is a known drug target for the treatment of autoimmune diseases, including rheumatoid arthritis (RA). In this study, a series of 1-amino-1H-imidazole-5-carboxamide derivatives with good inhibitory activity against BTK were selected to explore the structure-activity relationships of these BTK inhibitors (BTKIs). Furthermore, we concentrated on 182 prescriptions of Traditional Chinese Medicine with therapeutic effects on RA. 54 herbs with a frequency of ≥10 were counted to establish a database containing 4027 ingredients for virtual screening. Five compounds with relatively higher docking scores and better absorption, distribution, metabolism, elimination and toxicity (ADMET) parameters were then selected for higher precision docking. The results demonstrated that the potentially active molecules form hydrogen bond interactions with the hinge region residues Met477, Glu475, glycine-rich P-loop residue Val416, Lys430 and DFG motif Asp539. In particular, they also interact with the key residues Thr474 and Cys481 of BTK. The molecular dynamics (MD) results demonstrated that all five compounds above could bind with BTK stably as its cognate ligand in dynamic conditions. This work identified several potential BTKIs using a computer-aided drug design approach and may provide crucial information for developing novel BTKIs. Communicated by Ramaswamy H. Sarma

Determination of the magnetic dipole moment of a spacecraft is a key issue for magnetic cleanliness and attitude control of various space scientific spacecraft. Two main methods, namely the multiple magnetic dipole modeling method and near-field analysis, have been used with good results inside a coil facility for prelaunch magnetic testing of a spacecraft. When field-canceling coil sets are unavailable, or coil feedback controls are inadequate to compensate for time-varying geomagnetic fields, determination of the magnetic signature of a spacecraft from measurements of field components is compromised. Therefore, we propose a magnetic dipole moment determination method using magnetic gradient tensor data without any coil facility, which is based on the fact that the time variation of the gradient tensor of the geomagnetic field is very small compared with that of field. We improve the near-field analysis method by expanding the magnetic gradient tensor in a series of spherical harmonics, obtain sets of near-field equations using Fourier analysis, and solve these equations to determine the dipole-moment components. The proposed tensor method can effectively suppress the interference from time variations of ambient magnetic fields. Simulations and experiments have been conducted to prove the validity, robustness, and accuracy of the tensor method.

The topological Weyl semimetals with peculiar band structure exhibit novel nonlinear optical enhancement phenomena even for light at optical wavelengths. While many intriguing nonlinear optical effects were constantly uncovered in type-I semimetals, few experimental works focused on basic nonlinear optical properties in type-II Weyl semimetals. Here we perform a fundamental static and time-resolved second harmonic generation (SHG) on the three dimensional Type-II Weyl semimetal candidate $β$-WP$_2$. Although $β$-WP$_2$ exhibits extremely high conductivity and an extraordinarily large mean free path, the second harmonic generation is unscreened by conduction electrons, we observed rather strong SHG response compared to non-topological polar metals and archetypal ferroelectric insulators. Additionally, our time-resolved SHG experiment traces ultrafast symmetry switching and reveals that polar metal $β$-WP$_2$ tends to form inversion symmetric metastable state after photo-excitation. Intense femtosecond laser pulse could optically drive symmetry switching and tune nonlinear optical response on ultrafast timescales although the interlayer coupling of $β$-WP$_2$ is very strong. Our work is illuminating for the polar metal nonlinear optics and potential ultrafast topological optoelectronic applications., 8 pages, 5 figures

Learning with noisy label (LNL) is a classic problem that has been extensively studied for image tasks, but much less for video in the literature. A straightforward migration from images to videos without considering the properties of videos, such as computational cost and redundant information, is not a sound choice. In this paper, we propose two new strategies for video analysis with noisy labels: 1) A lightweight channel selection method dubbed as Channel Truncation for feature-based label noise detection. This method selects the most discriminative channels to split clean and noisy instances in each category; 2) A novel contrastive strategy dubbed as Noise Contrastive Learning, which constructs the relationship between clean and noisy instances to regularize model training. Experiments on three well-known benchmark datasets for video classification show that our proposed tru{\bf N}cat{\bf E}-split-contr{\bf A}s{\bf T} (NEAT) significantly outperforms the existing baselines. By reducing the dimension to 10\% of it, our method achieves over 0.4 noise detection F1-score and 5\% classification accuracy improvement on Mini-Kinetics dataset under severe noise (symmetric-80\%). Thanks to Noise Contrastive Learning, the average classification accuracy improvement on Mini-Kinetics and Sth-Sth-V1 is over 1.6\%., Comment: Accepted by AAAI 2023

Previous studies have reported a negative relationship between thyroid-stimulating hormone (TSH) and renal function in euthyroid individuals, but others have found that higher free thyroxine (FT4) was associated with an increased risk of chronic kidney disease. This study was designed to analyze the relationship between thyroid and renal function from a new perspective of sensitivity to thyroid hormone. This retrospective study included 2831 euthyroid individuals who underwent a health examination at the First Hospital of China Medical University between January 2017 and December 2018. Parametric Thyroid Feedback Quantile-based Index (PTFQIFT4), TSH index (TSHI), thyrotroph T4 resistance index (TT4RI), free triiodothyronine to FT4 ratio (FT3/FT4), the secretory capacity of the thyroid gland (SPINA-GT) and the sum activity of peripheral deiodinases (SPINA-GD) were calculated. We also innovated the TT3RI and PTFQIFT3 indices based on FT3 and TSH. Renal function was assessed by estimated glomerular filtration rate (eGFR) CKD-EPI and creatinine-cystatin C-KDIGO equations. After adjustment of basic characteristics and comorbidities, linear regression showed that eGFR CKD-EPI was positively associated with FT3/FT4 (β = 23.31), and inversely correlated to PTFQI FT4 (β= −2.69) (both p < .001). When comparing the fourth versus the first quartile of PTFQI FT4, the odds ratio (OR) for a reduced renal function was 1.89 (95% CI 1.28–2.80), and the OR was 0.64 (95% CI 0.43–0.95) when comparing quartiles of FT3/FT4 (both p for trend< .05). In addition, for every 1SD increase in PTFQI FT4, the OR for a reduced renal function was 1.27 (95%CI 1.10–1.47). TSHI, TT4RI and TT3RI also showed a negative correlation to renal function. Similar results were obtained in SPINA-GD as in FT3/FT4. In euthyroid individuals, decreased sensitivity to thyroid hormone is associated with reduced renal function. The composite PTFQIFT4 index correlates more strongly to renal function than TSH or T4 alone.KEY MESSAGESDecreased sensitivity to thyroid hormone is associated with reduced renal function in the euthyroid population.The recently developed composite index PTFQIFT4 seems to correlate more strongly to renal function than individual TSH or FT4 parameters.Innovative indices TT3RI and PTFQIFT3 based on the interaction between T3 and TSH may also reflect sensitivity to thyroid hormone. Decreased sensitivity to thyroid hormone is associated with reduced renal function in the euthyroid population. The recently developed composite index PTFQIFT4 seems to correlate more strongly to renal function than individual TSH or FT4 parameters. Innovative indices TT3RI and PTFQIFT3 based on the interaction between T3 and TSH may also reflect sensitivity to thyroid hormone.

Deep borehole magnetic measurement provides additional dimensional information, compared with aeromagnetic survey and ground-based magnetic measurement. Borehole magnetic measurement mainly depends on determing the three components of the magnetic fields at present, which can be used to enhance oil recovery and find mineral. However, it is susceptible to the geomagnetic time variations, extremely sensitive to the azimuth error, and greatly affected by the magnetic shielding of steel casing pipes. The magnetic gradient tensor measurement can effectively suppress the effects of geomagnetic variations and is insensitive to the azimuth error. In this work, the magnetic shielding effect of a casing is simulated by COMSOL firstly, and the correctness of the simulations is verified by the experiments of placing the casing in the east-west and north-south directions respectively. Next, the magnetic field component B z and the magnetic gradient tensor component B zz on the casing axis are simulated by using a magnet as the anomalous source, and field experiments prove that the magnetic gradient tensor is relatively less affected by the magnetic shielding of the casing. Finally, through the simulations of ore bodies with different concentrations and grain sizes of magnetite, the advantage of magnetic gradient tensor measurement in deep boreholes is proved.

Incommensurate phase(IC)-commensurate phase(R) transition in NiTi(Fe) alloy is dealt with Landau theory. The order parameters are the complex amplitudes of the charge density waves (CDWs). This transition is a first-order one. The condition that incommensurate phase can exist is obtained.

On met en relation l'effet de la vitesse de chauffage et de refroidissement, de la frequence et de l'amplitude de deformation sur le frottement interne avec la transformation martensitique dans les alliages Cu-14,68% poids Zn-7,75% poids Al et Cu-20,4% poids Zn-6,2% poids Al

Resultats des mesures du frottement interne et du module d'elasticite dans l'alliage amorphe Fe 49 Ni 33 Si 8 B 10 . Observation d'un pic de frottement interne stable

Etude du frottement interne des verres metalliques Fe 75,1-Ni 3,0-Mo 1,6-Si 6,5-B 13,8 et (Fe 0,6Ni0,4)82Si 8B 10. On suppose que l'energie d'activation du frottement interne pour ces alliages amorphes est distribuee en un spectre continu

Parent phase(B2)-incommensurate phase(IC) transition in NiTi(Fe) alloy is dealed with Landau theory. The order parameters are the complex amplitudes of the charge density waves(CDWs). This transition is a weakly first order one. The point symmetry of IC is 31m.