分类： 药物科学 >> 药物设计 提交时间： 2024-02-20
Jin Liu
Yike Gui
Jingxin Rao
Jingjing Sun
Gang Wang
Qun Ren
Ning Qu
Buying Niu
Zhiyi Chen
Xia Sheng
Yitian Wang
Mingyue Zheng
Xutong Li
摘要： Ensuring drug safety in the early stages of drug development is crucial to avoid costly failures in subsequent phases. However, the economic burden associated with detecting drug off-targets and potential side effects through in vitro safety screening and animal testing is substantial. Drug off-target interactions, along with the adverse drug reactions they induce, are significant factors affecting drug safety. To assess the liability of candidate drugs, we developed an artificial intelligence model for the precise prediction of compound off-target interactions, leveraging multi-task graph neural networks. The outcomes of off-target predictions can serve as representations for compounds, enabling the differentiation of drugs under various ATC codes and the classification of compound toxicity. Furthermore, the predicted off-target profiles are employed in ADR enrichment analysis, facilitating the inference of potential ADRs for a drug. Using the withdrawn drug Pergolide as an example, we elucidate the mechanisms underlying ADRs at the target level, contributing to the exploration of the potential clinical relevance of newly predicted off-target interactions. Overall, our work facilitates the early assessment of compound safety/toxicity based on off-target identification, deduces potential ADRs of drugs, and ultimately promotes the secure development of drugs.
分类： 光学 >> 量子光学 提交时间： 2023-02-19
摘要： Optical microcavities have widely been employed to enhance either the optical excitation or the photon emission processes for boosting light matter interactions at nanoscale. When both the excitation and emission processes are simultaneously facilitated by the optical resonances provided by the microcavities, as referred to the dual-resonance condition in this article, the performances of many nanophotonic devices approach to the optima. In this work, we present versatile accessing of dual-resonance conditions in deterministically coupled quantum-dot(QD)-micopillars, which enables emission from exciton (X) - charged exciton (CX) transition with improved single-photon purity. In addition, the rarely observed up-converted single-photon emission process is achieved under dual-resonance condition. We further exploit the vectorial nature of the high-order cavity modes to significantly improve the excitation efficiency under the dual-resonance condition. The dual-resonance enhanced light-matter interactions in the quantum regime provides a viable path for developing integrated quantum photonic devices based on cavity quantum electrodynamics (QED) effect e.g., highly-efficient quantum light sources and quantum logical gates.
分类： 光学 >> 量子光学 提交时间： 2023-02-19
Xueshi Li
Shunfa Liu
Yuming Wei
Jiantao Ma
Changkun Song
Ying Yu
Rongbin Su
Wei Geng
Haiqiao Ni
Hanqing Liu
Xiangbin Su
Zhichuan Niu
Youling Chen
Jin Liu
摘要： The emerging hybrid integrated quantum photonics combines advantages of different functional components into a single chip to meet the stringent requirements for quantum information processing. Despite the tremendous progress in hybrid integrations of III-V quantum emitters with silicon-based photonic circuits and superconducting single-photon detectors, on-chip optical excitations of quantum emitters via miniaturized lasers towards single-photon sources (SPSs) with low power consumptions, small device footprints and excellent coherence properties is highly desirable yet illusive. In this work, we present realizations of bright semiconductor singe-photon sources heterogeneously integrated with on-chip electrically-injected microlasers. Different from previous one-by-one transfer printing technique implemented in hybrid quantum dot (QD) photonic devices, multiple deterministically coupled QD-circular Bragg Grating (CBG) SPSs were integrated with electrically-injected micropillar lasers at one time via a potentially scalable transfer printing process assisted by the wide-field photoluminescence (PL) imaging technique. Optically pumped by electrically-injected microlasers, pure single photons are generated with a high-brightness of a count rate of 3.8 M/s and an extraction efficiency of 25.44%. Such a high-brightness is due to the enhancement by the cavity mode of the CBG, which is confirmed by a Purcell factor of 2.5. Our work provides a powerful tool for advancing hybrid integrated quantum photonics in general and boosts the developments for realizing highly-compact, energy-efficient and coherent SPSs in particular.
分类： 光学 >> 量子光学 提交时间： 2023-02-19
摘要： The pursuit of compact lasers with low-thresholds has imposed strict requirements on tight light confinements with minimized radiation losses. Bound states in the continuum (BICs) have been recently demonstrated as an effective mechanism to trap light along the out-of-plane direction, paving the way to low-threshold lasers. To date, most reported BIC lasers are still bulky due to the absence of in-plane light confinement. In this work, we combine BICs and photonic band gaps to realize three-dimensional (3D) light confinements, as referred to miniaturized (mini-) BICs. Together with 3D carrier confinements provided by quantum dots (QDs) as optical gain materials, we have realized highly-compact active BIC resonators with a record-high quality ($Q$) factor up to 32500, which enables single-mode continuous wave (CW) lasing with the lowest threshold of 80 W/cm$^{2}$ among the reported BIC lasers. In addidtion, our photon statistics measurements under both CW and pulsed excitations confirm the occurence of the phase transition from spontaneous emission to stimulated emission, further suggesting that conventional criteria of input-output and linewidth are not sufficient for claiming nanoscale lasing. Our work reveal a via path towards compact BIC lasers with ultra-low power consumption and potentially boost the applications in cavity quantum electrodynamics (QEDs), nonlinear optics and integrated photonics.
分类： 光学 >> 量子光学 提交时间： 2023-02-19
Yuming Wei
Shunfa Liu
Xueshi Li
Ying Yu
Xiangbin Su
Shulun Li
Shangjun Xiang
Hanqing Liu
Huiming Hao
Haiqiao Ni
Siyuan Yu
Zhichuan Niu
Jake Iles-Smith
Jin Liu
Xuehua Wang
摘要： The coherent interaction of electromagnetic fields with solid-state two-level systems can yield deterministic quantum light sources for photonic quantum technologies. To date, the performance of semiconductor single-photon sources based on three-level systems is limited mainly due to a lack of high photon indistinguishability. Here, we tailor the cavity-enhanced spontaneous emission from a ladder-type three-level system in a single epitaxial quantum dot (QD) through stimulated emission. After populating the biexciton (XX) of the QD through two-photon resonant excitation (TPE), we use another laser pulse to selectively depopulate the XX state into an exciton (X) state with a predefined polarization. The stimulated XX-X emission modifies the X decay dynamics and yields improved polarized single-photon source characteristics such as a source brightness of 0.030(2), a single-photon purity of 0.998(1), and an indistinguishability of 0.926(4). Our method can be readily applied to existing QD single-photon sources and expands the capabilities of three-level systems for advanced quantum photonic functionalities.
分类： 光学 >> 量子光学 提交时间： 2023-02-19
Bo Chen
Yueguang Zhou
Peinian Huang
Chaochao Ye
Qian Cao
Yang Liu
Chanju Kim
Kresten Yvind
Jin Li
Chunhua Dong
Songnian Fu
Qiwen Zhan
Xuehua Wang
Minhao Pu
Jin Liu
摘要： The explorations of physical degrees of freedom with infinite dimensionalities, such as orbital angular momentum and frequency of light, have profoundly reshaped the landscape of modern optics with representative photonic functional devices including optical vortex emitters and frequency combs. In nanophotonics, whisper gallery mode microresonators naturally support orbital angular momentum of light and have been demonstrated as on-chip emitters of monochromatic optical vortices. On the other hand, whisper gallery mode microresonators serve as a highly-efficient nonlinear optical platform for producing light at different frequencies - i.e., microcombs. Here, we interlace the optical vortices and microcombs by demonstrating an optical vortex comb on an III-V integrated nonlinear microresonator. The angular-grating-dressed nonlinear microring simultaneously emits up to 50 orbital angular momentum modes that are each spectrally addressed to the frequency components ((longitudinal whispering gallery modes) of the generated microcomb. We further show that the integrated vortex comb with varied orbital angular momenta distributed across different frequencies exhibits unprecedented advantages in the synthesis of spatio-temporal optical pulses with time-varying orbital angular momenta. This work may immediately boost the development of integrated nonlinear/quantum photonics for exploring fundamental optical physics and advancing photonic quantum technology.
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