It is tenable to argue that nobody can predict the future with certainty, yet one can learn from the past and make informed projections for the years ahead. In this Perspective, we overview the ...status of how theory and computation can be exploited to obtain chemical understanding from wave function theory and density functional theory, and then outlook the likely impact of machine learning (ML) and quantum computers (QC) to appreciate traditional chemical concepts in decades to come. It is maintained that the development and maturation of ML and QC methods in theoretical and computational chemistry represent two paradigm shifts about how the Schrödinger equation can be solved. New chemical understanding can be harnessed in these two new paradigms by making respective use of ML features and QC qubits. Before that happens, however, we still have hurdles to face and obstacles to overcome in both ML and QC arenas. Possible pathways to tackle these challenges are proposed. We anticipate that hierarchical modeling, in contrast to multiscale modeling, will emerge and thrive, becoming the workhorse of in silico simulations in the next few decades.
A 12-bit 10 MS/s SAR ADC with enhanced linearity and energy efficiency is presented in this paper. A novel switching scheme (COSS) is proposed to reduce the power consumption and the matching ...requirement for capacitors in SAR ADCs. The switching energy (including switching energy and reset energy), total capacitance and static performance (INL & DNL) of the proposed scheme are reduced by 98.08%, 75%, and 75%, respectively, compared with the conventional architecture. Based on analysis of the non-linear errors caused by comparator input parasitic capacitance, an improved comparator with push-pull pre-amplifier and output offset storage (OOS) strategy is proposed to diminish non-linearity in the input parasitic capacitance. The offset cancellation signal for the comparator can be generated by asynchronous timing automatically, without any extra clock. Additionally, an SFDR enhancement bootstrap switch is proposed to eliminate the distortion induced by parasitic capacitance and threshold voltage that results in insufficient precision for mediumspeed 12-bit ADCs. The proposed ADC was fabricated in a 0.18 μm 1P6M CMOS process, and the measured results show that the ADC achieves an SNDR of 66.9 dB and an SFDR of 75.8 dB with a 10 MS/s sampling rate and consumes 0.82 mW, resulting in a figure of merit (FOM) of 44.2 fJ/conversion-step. The peak DNL error is +0.36/-0.33 LSB, and the peak INL error is +0.55 LSB/-0.6 LSB. The ADC core occupies an active area of only 630 μm×570 μm 2 .
Three structurally identical polymers, except for the number of fluorine substitutions (0, 1, or 2) on the repeat unit (BnDT-DTBT), are investigated in detail, to further understand the impact of ...these fluorine atoms on open circuit voltage (V oc), short circuit current (J sc), and fill factor (FF) of related solar cells. While the enhanced V oc can be ascribed to a lower HOMO level of the polymer by adding more fluorine substituents, the improvement in J sc and FF are likely due to suppressed charge recombination. While the reduced bimolecular recombination with raising fluorine concentration is confirmed by variable light intensity studies, a plausibly suppressed geminate recombination is implied by the significantly increased change of dipole moment between the ground and excited states (Δμge) for these polymers as the number of fluorine substituents increases. Moreover, the 2F polymer (PBnDT-DTffBT) exhibits significantly more scattering in the in-plane lamellar stacking and out-of-plane π–π stacking directions, observed with GIWAXS. This indicates that the addition of fluorine leads to a more face-on polymer crystallite orientation with respect to the substrate, which could contribute to the suppressed charge recombination. R-SoXS also reveals that PBnDT-DTffBT has larger and purer polymer/fullerene domains. The higher domain purity is correlated with an observed decrease in PCBM miscibility in polymer, which drops from 21% (PBnDT-DTBT) to 12% (PBnDT-DTffBT). The disclosed “fluorine” impact not only explains the efficiency increase from 4% of PBnDT-DTBT (0F) to 7% with PBnDT-DTffBT (2F) but also suggests fluorine substitution should be generally considered in the future design of new polymers.
High‐powered polymer: Fluorinated benzothiadiazole was incorporated into a polymer that was used in a high‐performance solar cell. The model polymer 2 has decreased HOMO and LUMO energy levels and a ...similar band gap when compared with its nonfluorinated analogue 1. A bulk heterojunction device derived from 1 demonstrated a high power conversion efficiency of 7.2 % (5.0 % for 1).
Due to the relatively low optical power of a liquid lens, it is usually difficult to achieve a large zoom ratio and a high-resolution image simultaneously in an optofluidic zoom imaging system. We ...propose an electronically controlled optofluidic zoom imaging system combined with deep learning, which achieves a large continuous zoom change and a high-resolution image. The zoom system consists of an optofluidic zoom objective and an image-processing module. The proposed zoom system can achieve a large tunable focal length range from 4.0 mm to 31.3 mm. In the focal length range of 9.4 mm to 18.8 mm, the system can dynamically correct the aberrations by six electrowetting liquid lenses to ensure the image quality. In the focal length range of 4.0-9.4 mm and 18.8-31.3 mm, the optical power of a liquid lens is mainly used to enlarge the zoom ratio, and deep learning enables the proposed zoom system with improved image quality. The zoom ratio of the system reaches 7.8×, and the maximum field of view of the system can reach ~29°. The proposed zoom system has potential applications in camera, telescope and so on.
CD147 is an important glycoprotein that participates in the progression of diverse cancers. This study aims to explore the specific function of CD147 in lung adenocarcinoma (LUAD) and to reveal ...related downstream molecular mechanisms.
Followed by silencing of CD147, the viability, migration, invasion, and apoptosis of LUAD cells were measured by CCK8, wound healing, transwell assay, and flow cytometer, respectively. The expression of CD147 and two markers of lipid metabolism (FASN and ACOX1) were detected by qRT-PCR. A xenograft tumor model was constructed to investigate the function of CD147 in vivo. Then transcriptome sequencing was performed to explore the potential mechanisms. After measuring the expression of Rap1 and p-p38 MAPK/p38 MAPK by western blot, the changes of CD147 and lipid metabolism markers (FASN, ACOX1) was detected by Immunohistochemistry. Moreover, a Rap1 activator and a Rap1 inhibitor were applied for feedback functional experiments.
CD147 was up-regulated in LUAD cells, and its silencing inhibited cell proliferation, migration, invasion, lipid metabolism dysregulation and promoted apoptosis, while overexpression of CD147 showed the opposite results. Silencing of CD147 also inhibited the growth of tumor xenografts in mice. Transcriptome sequencing revealed 834 up-regulated differentially expressed genes (DEGs) and 602 down-regulated DEGs. After functional enrichment, the Rap1 signaling pathway was selected as a potential target, which was then verified to be blocked by CD147 silencing. In addition, the treatment of Rap1 activator weakened the inhibiting effects of si-CD147 on the proliferation, migration, invasion, and lipid metabolism in LUAD cells, while the intervention of RAP1 inhibitor showed the opposite results.
Silencing of CD147 inhibited the proliferation, migration, invasion, lipid metabolism dysregulation and promoted apoptosis of LUAD cells through blocking the Rap1 signaling pathway.
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