Intramolecular Torque, an Indicator of the Internal Rotation Direction of Rotor Molecules and Similar Systems

Torque is ubiquitous in many molecular systems, including collisions, chemical reactions, vibrations, electronic excitations and especially rotor molecules. We present a straightforward theoretical method based on forces acting on atoms and obtained from atomistic quantum mechanics calculations, to quickly and qualitatively determine whether a molecule or sub-unit thereof has a tendency to rotation and, if so, around which axis and in which sense: clockwise or counterclockwise. The method also indicates which atoms, if any, are predominant in causing the rotation. Our computational approach can in general efficiently provide insights into the rotational ability of many molecules and help to theoretically screen or modify them in advance of experiments or before analyzing their rotational behavior in more detail with more extensive computations guided by the results from the torque approach. As an example, we demonstrate the effectiveness of the approach using a specific light-driven molecular rotary motor which was successfully synthesized and analyzed in prior experiments and simulations.Comment: 11 pages, 4 figures, 1 SI fil

Effects of combined therapy in 80 cases of accommodative esotropia

AIM: To investigate a comprehensive treatment for accommodative esotropia.<p>METHODS: Eighty patients with accommodative esotropia were analyzed. All cases wore corrective glasses 7d after mydriasis by 10g/L atropine. The pupils were all comprehensively trained. If the position of the esotropic eyes could not be corrected by spectacles and both eyes had similar visual acuity in one year, surgical intervention was taken to correct the position. Refraction, visual acuity, visual function and strabismus degree change before and after treatment were evaluated.<p>RESULTS: One year after wearing glasses, 50 cases had corrected eye position through correction and 30 cases were partially accommodative esotropia. Ten cases of esotropia degree >+15^△ which could not be complete corrected by cure correction got surgical intervention. Seven cases of them got normal eye positions and 3 cases were over corrected 10^△-20^△. After comprehensive treatment of 3 years, the cure rate of amblyopia was 88.7%.<p>CONCLUSION: The treatment for accommodative esotropia is a comprehensive course. It is necessary to pay attention to eye position correction, but also for the treatment of amblyopia, while paying attention to establish binocular vision

Nearly deconfined spinon excitations in the square-lattice spin-1/2 Heisenberg antiferromagnet

We study the spin-excitation spectrum (dynamic structure factor) of the spin-1/2 square-lattice Heisenberg antiferromagnet and an extended model (the J−Q model) including four-spin interactions Q in addition to the Heisenberg exchange J. Using an improved method for stochastic analytic continuation of imaginary-time correlation functions computed with quantum Monte Carlo simulations, we can treat the sharp (δ-function) contribution to the structure factor expected from spin-wave (magnon) excitations, in addition to resolving a continuum above the magnon energy. Spectra for the Heisenberg model are in excellent agreement with recent neutron-scattering experiments on Cu(DCOO)2⋅4D2O, where a broad spectral-weight continuum at wave vector q=(π,0) was interpreted as deconfined spinons, i.e., fractional excitations carrying half of the spin of a magnon. Our results at (π,0) show a similar reduction of the magnon weight and a large continuum, while the continuum is much smaller at q=(π/2,π/2) (as also seen experimentally). We further investigate the reasons for the small magnon weight at (π,0) and the nature of the corresponding excitation by studying the evolution of the spectral functions in the J−Q model. Upon turning on the Q interaction, we observe a rapid reduction of the magnon weight to zero, well before the system undergoes a deconfined quantum phase transition into a nonmagnetic spontaneously dimerized state. Based on these results, we reinterpret the picture of deconfined spinons at (π,0) in the experiments as nearly deconfined spinons—a precursor to deconfined quantum criticality. To further elucidate the picture of a fragile (π,0)-magnon pole in the Heisenberg model and its depletion in the J−Q model, we introduce an effective model of the excitations in which a magnon can split into two spinons that do not separate but fluctuate in and out of the magnon space (in analogy to the resonance between a photon and a particle-hole pair in the exciton-polariton problem). The model can reproduce the reduction of magnon weight and lowered excitation energy at (π,0) in the Heisenberg model, as well as the energy maximum and smaller continuum at (π/2,π/2). It can also account for the rapid loss of the (π,0) magnon with increasing Q and the remarkable persistence of a large magnon pole at q=(π/2,π/2) even at the deconfined critical point. The fragility of the magnons close to (π,0) in the Heisenberg model suggests that various interactions that likely are important in many materials—e.g., longer-range pair exchange, ring exchange, and spin-phonon interactions—may also destroy these magnons and lead to even stronger spinon signatures than in Cu(DCOO)2⋅4D2O.We thank Wenan Guo, Akiko Masaki-Kato, Andrey Mishchenko, Martin Mourigal, Henrik Ronnow, Kai Schmidt, Cenke Xu, and Seiji Yunoki for useful discussions. Experimental data from Ref. [33] were kindly provided by N. B. Christensen and H. M. Ronnow. H. S. was supported by the China Postdoctoral Science Foundation under Grants No. 2016M600034 and No. 2017T100031. St.C. was funded by the NSFC under Grants No. 11574025 and No. U1530401. Y. Q. Q. and Z. Y. M. acknowledge funding from the Ministry of Science and Technology of China through National Key Research and Development Program under Grant No. 2016YFA0300502, from the key research program of the Chinese Academy of Sciences under Grant No. XDPB0803, and from the NSFC under Grants No. 11421092, No. 11574359, and No. 11674370, as well as the National Thousand-Young Talents Program of China. A. W. S. was funded by the NSF under Grants No. DMR-1410126 and No. DMR-1710170, and by the Simons Foundation. In addition H. S., Y. Q. Q., and Sy. C. thank Boston University's Condensed Matter Theory Visitors program for support, and A. W. S. thanks the Beijing Computational Science Research Center and the Institute of Physics, Chinese Academy of Sciences for visitor support. We thank the Center for Quantum Simulation Sciences at the Institute of Physics, Chinese Academy of Sciences, the Tianhe-1A platform at the National Supercomputer Center in Tianjin, Boston University's Shared Computing Cluster, and CALMIP (Toulouse) for their technical support and generous allocation of CPU time. (2016M600034 - China Postdoctoral Science Foundation; 2017T100031 - China Postdoctoral Science Foundation; 11574025 - NSFC; U1530401 - NSFC; 11421092 - NSFC; 11574359 - NSFC; 11674370 - NSFC; 2016YFA0300502 - Ministry of Science and Technology of China; XDPB0803 - Chinese Academy of Sciences; National Thousand-Young Talents Program of China; DMR-1410126 - NSF; DMR-1710170 - NSF; Simons Foundation; Boston University's Condensed Matter Theory Visitors program)Accepted manuscript and published version

Duality between the deconfined quantum-critical point and the bosonic topological transition

Recently significant progress has been made in $(2+1)$-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities, i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly-correlated quantum-matter systems: the one relating the easy-plane noncompact CP$^1$ model (NCCP$^1$) and noncompact quantum electrodynamics (QED) with two flavors ($N = 2$) of massless two-component Dirac fermions. The easy-plane NCCP$^1$ model is the field theory of the putative deconfined quantum-critical point separating a planar (XY) antiferromagnet and a dimerized (valence-bond solid) ground state, while $N=2$ noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work we present strong numerical support for the proposed duality. We realize the $N=2$ noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC) simulations. Using stochastic series expansion QMC, we study a planar version of the $S=1/2$ $J$-$Q$ spin Hamiltonian (a quantum XY-model with additional multi-spin couplings) and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships.Comment: 14 pages, 9 figure

RNAa-mediated overexpression of WT1 induces apoptosis in HepG2 cells

<p>Abstract</p> <p>Aim</p> <p>Recent studies have reported that double-stranded RNA (dsRNA) can activate gene expression by targeting promoter sequence in a process termed RNA activation. The present study was conducted to evaluate the potential of WT1 induction by small activating RNA targeting the WT1 promoter (dsWT1) in the treatment of hepatocellular carcinoma.</p> <p>Methods</p> <p>The human hepatocellular carcinoma cell line HepG2 was transfected with dsRNA by liposomes. The expression of mRNA and protein in cells were investigated using real-time reverse real-time quantitative PCR and Western blot, respectively. Cell viability and clonogenicity were determined by MTT assay and clonogenicity assay, respectively. Cell apoptosis was evaluated by flow-cytometric analysis.</p> <p>Results</p> <p>Expressions of WT1 mRNA and protein in dsWT1 treated HepG2 cells were significantly elevated. Inhibition of cell viability by dsWT1 was dose-dependent and time-dependent. Reduction of the number and size of colonies formed were found in dsWT1 treated cells. dsWT1 induced significant apoptosis in HepG2 cells. The decreased anti-apoptotic protein Bcl-2 and elevated pro-apoptotic protein Bak expression were detected in dsWT1 treated cells. The level of pro-caspase-3 remarkably decreased and cleaved caspase-3 and PARP fragment were also detected in dsWT1 treated cells.</p> <p>Conclusion</p> <p>These data show that RNAa-mediated overexpression of WT1 may have therapeutic potential in the treatment of hepatocellular carcinoma.</p

A Hierarchical Fused Quantum Fuzzy Neural Network for Image Classification

Neural network is a powerful learning paradigm for data feature learning in the era of big data. However, most neural network models are deterministic models that ignore the uncertainty of data. Fuzzy neural networks are proposed to address this problem. FDNN is a hierarchical deep neural network that derives information from both fuzzy and neural representations, the representations are then fused to form representation to be classified. FDNN perform well on uncertain data classification tasks. In this paper, we proposed a novel hierarchical fused quantum fuzzy neural network (HQFNN). Different from classical FDNN, HQFNN uses quantum neural networks to learn fuzzy membership functions in fuzzy neural network. We conducted simulated experiment on two types of datasets (Dirty-MNIST and 15-Scene), the results show that the proposed model can outperform several existing methods. In addition, we demonstrate the robustness of the proposed quantum circuit

Field test on the biodegradation of poly(butylene adipate-co-terephthalate) based mulch films in soil

The use of plastic much films has been fundamental to promoting food production in many regions of the world. However, concern is growing about the progressive accumulation of plastic residues in soil after crop harvest and its subsequent impact on soil health and potential to enter the food chain. Although biodegradable films have been developed to prevent these problems, it is still unclear whether they are environmentally benign. Here we evaluated the physical and chemical breakdown of four commercial poly(butylene adipate-co-terephthalate) based biodegradable mulch films (BMF1, BMF2, BMF3 and BMF4) in an agricultural soil over a 26-month period. Based on visual examination, degradation followed the series BMF4 > BMF1, BMF2 > BMF3. Importantly, microplastic residues (fragments <5 mm) still remained in the soil of all 4 plastic types after 2 years, suggesting that they are likely to accumulate over time if used on an annual basis. Viscosimetry, Fourier transform infrared (FTIR) spectroscopy and Thermogravimetric Analysis (TGA) were used to characterise the breakdown process. Our results indicated that the degradation of the mulch film after burial in agricultural soil may be linked to the nature of the polymer but also to its manufacturing formulation. Although the peak changes of polyester in the infrared spectrum were not distinct, the plastic films showed other signs of degradation including a reduction in intrinsic viscosity after burial in soil. The different degradation rates of BMF1 and BMF2 at the molecular level may be due to the different CaCO3 contents. In conclusion, under field conditions, we show that slight variations in the formulations of commercial biodegradable mulch films leads to very different persistence rates in soil. Further, we conclude that their slow rate of degradation will ultimately lead to their progressive accumulation in soil if used repeatedly

Application of problem based learning steered by constructivism in Ophthalmologic teaching

AIM: To investigate the application of problem based learning(PBL)steered by constructivism. <p>METHODS: The 120 students were appointed as the routine teaching group and the PBL steered by constructivism group separately, who were coming from the department of clinical medicine and clinical pharmacy in grade 94, China Medical University. They were divided into PBL steered by constructivism group(60 students)and the routine teaching group(60 students). The students' feedbacks and teaching effects were compared by the questionnaire after teaching. <p>RESULTS: The feedback of the students in the PBL steered by constructivism group were significant better than that in the routine teaching group, including interest, referring data, self-study, thought process, obtaining and spreading knowledge, computer utilization, studying independently, concerted struggling, appreciating and magnanimous ability, discussion and communication(<i>P</i><0.05).<p>CONCLUSION: Application of problem based learning steered by constructivism interests the students in Ophthalmologic teaching and is helpful in their self-study, which is benefit to elevate the teaching level and train the qualified scientists