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We designed and synthesized a series of fused-ring electron acceptors (FREAs) based on naphthalene-fused octacyclic cores end-capped by 3-(1,1-dicyanomethylene)-5,6-difluoro-1- indanone (NOICs) using a bottom-up approach. The NOIC series shares the same end groups and side chains, as well as similar fused-ring cores. The butterfly effects, arising from different methoxy positions in the starting materials, impact the design of the final FREAs, as well as their molecular packing, optical and electronic properties, charge transport, film morphology, and performance of organic solar cells. The binary-blend devices based on this NOIC series show power conversion efficiencies varying from 7.15% to 14.1%, due to the different intrinsic properties of the NOIC series, morphologies of blend films, and voltage losses of devices.

Transcriptional dysregulation is a hallmark of prostate cancer (PCa). We mapped the RNA polymerase II-associated (RNA Pol II-associated) chromatin interactions in normal prostate cells and PCa cells. We discovered thousands of enhancer-promoter, enhancer-enhancer, as well as promoter-promoter chromatin interactions. These transcriptional hubs operate within the framework set by structural proteins - CTCF and cohesins - and are regulated by the cooperative action of master transcription factors, such as the androgen receptor (AR) and FOXA1. By combining analyses from metastatic castration-resistant PCa (mCRPC) specimens, we show that AR locus amplification contributes to the transcriptional upregulation of the AR gene by increasing the total number of chromatin interaction modules comprising the AR gene and its distal enhancer. We deconvoluted the transcription control modules of several PCa genes, notably the biomarker KLK3, lineage-restricted genes (KRT8, KRT18, HOXB13, FOXA1, ZBTB16), the drug target EZH2, and the oncogene MYC. By integrating clinical PCa data, we defined a germline-somatic interplay between the PCa risk allele rs684232 and the somatically acquired TMPRSS2-ERG gene fusion in the transcriptional regulation of multiple target genes - VPS53, FAM57A, and GEMIN4. Our studies implicate changes in genome organization as a critical determinant of aberrant transcriptional regulation in PCa.

Three fused-ring electron acceptors (FXIC-1, FXIC-2, and FXIC-3) were designed and synthesized. This FXIC series has similar electron-rich central units and the same electron-poor termini. Due to the different steric structures of fluorene, bifluorenylidene, and spirobifluorene, FXIC-1 is a one-dimensional (1D) crystal, while FXIC-2 and FXIC-3 are multidimensional (MD) amorphous materials. The conformations of the FXIC series have a slight impact on their absorption and energy levels. FXIC-1 has higher electron mobility than FXIC-2 and FXIC-3. When blending with different polymer donors (PTB7-Th, J71, and PM7), the FXIC-1-based organic solar cells have efficiencies higher than those of the FXIC-2/FXIC-3-based cells. Meanwhile, the ternary-blend cells based on PTB7-Th:F8IC with FXIC-1, FXIC-2, and FXIC-3 show similar efficiencies, which are all better than those of the binary-blend devices.

The unidirectional extension of a smaller fused-ring system into a larger one in a single direction will increase the conjugation length, allowing a fine-tuning of electronic properties. Here, we designed and synthesized a unidirectionally extended fused-8-ring-based nonfullerene acceptor, AOIC, and a bidirectionally extended fused-11-ring electron acceptor, IUIC2, and compared these with the parent fused-5-ring electron acceptor, F5IC. They share the same electron-accepting groups and alkylphenyl side chains but have different fused-ring electron-donating units. Core extension from 5 to 11 rings up-shifts the energy levels, red shifts the absorption spectra, and reduces bandgaps. The unidirectionally extended AOIC has the highest mobility (2.1 × 10-3 cm2 V-1 s-1) relative to the parent F5IC (1.0 × 10-3 cm2 V-1 s-1) and the bidirectionally extended IUIC2 (4.7 × 10-4 cm2 V-1 s-1). Upon blending with the donor PTB7-Th, AOIC-based organic photovoltaic cells show an efficiency of 13.7%, much better than that of F5IC-based cells (5.61%) and IUIC2-based cells (4.48%).

A tandem structure was invented to enhance photon utilization efficiency and reduce thermal loss. Considering the unique advantages of non-fullerene acceptors (NFAs), the combination of NFAs and the tandem concept shows great potential for organic photovoltaics (OPVs). Herein, a simple strategy to balance the voltage-current trade-off in tandem OPVs by employing mixed NFAs in rear sub-cells is reported. The V OC and J SC of rear sub-cells can be tuned by using the blend of donor/NFA/NFA. This strategy offers an easy approach to balance the V OC and J SC in tandem OPVs toward higher power conversion efficiency (PCE) without rational and careful synthesis of new materials. Tandem OPVs based on mixed NFAs in rear sub-cells exhibited the best PCE of 13.3% in the lab. Importantly, the tandem devices were certified by the National Renewable Energy Laboratory (NREL) under asymptotic scans, and a PCE of 11.52% was achieved and recognized on the most recent NREL chart. Organic photovoltaics (OPVs) have attracted considerable attention in the last decade due to some potential advantages, such as flexibility, light weight, possible semi-transparency, and fast large-area fabrication with low energy consumption. To achieve higher performing OPVs, a tandem structure was invented by stacking two or more sub-cells together. In tandem OPVs, the photon utilization efficiency can be improved and the thermal losses can be reduced. Herein, a simple strategy to balance the voltage-current trade-off in tandem OPVs by employing mixed non-fullerene acceptors in rear sub-cells is reported. By this strategy, tandem OPVs exhibited the best power conversion efficiency (PCE) of 13.3% in the lab. Importantly, the tandem devices were certified by the National Renewable Energy Laboratory (NREL) under the new protocols (asymptotic scans), and a PCE of 11.52% was achieved and recognized on the most recent NREL chart. A simple strategy to balance the voltage-current trade-off in tandem organic photovoltaics by employing mixed non-fullerene acceptors in rear sub-cells is reported. The tandem device with the best power conversion efficiency (PCE) of 13.3% was achieved in the lab. Importantly, the tandem devices were certified by the National Renewable Energy Laboratory (NREL) under the new protocols (asymptotic scans, which are much tougher than regular fast scans); a PCE of 11.52% was achieved and recognized on the most recent NREL chart.

Tobacco and alcohol use are leading causes of mortality that influence risk for many complex diseases and disorders1. They are heritable2,3 and etiologically related4,5 behaviors that have been resistant to gene discovery efforts6-11. In sample sizes up to 1.2 million individuals, we discovered 566 genetic variants in 406 loci associated with multiple stages of tobacco use (initiation, cessation, and heaviness) as well as alcohol use, with 150 loci evidencing pleiotropic association. Smoking phenotypes were positively genetically correlated with many health conditions, whereas alcohol use was negatively correlated with these conditions, such that increased genetic risk for alcohol use is associated with lower disease risk. We report evidence for the involvement of many systems in tobacco and alcohol use, including genes involved in nicotinic, dopaminergic, and glutamatergic neurotransmission. The results provide a solid starting point to evaluate the effects of these loci in model organisms and more precise substance use measures.

A new acceptor unit, fluorinated thieno[2',3':4,5]benzo[1,2-d][1,2,3]triazole (fBTAZT), has been designed and synthesized to build two donor-acceptor (D-A) copolymers with the none/fluorinated benzodithiophene (BDT) unit, which have been applied as the electron-donating material with ITIC as an electron-accepting material to fabricate the nonfullerene polymer solar cells (PSCs). It is found that fluorination at the BTAZT unit and BDT unit exerts a significant influence on photophysical properties and photovoltaic performances of the PSCs. As a result, when the fluorine atom is introduced both into the BTAZT unit and the side-chain thiophene ring of the BDT unit, the corresponding polymer PfBTAZT-fBDT exhibits deeper highest occupied molecular orbital-lowest unoccupied molecular orbital energy level and shows stronger interchain interaction with a little broad and red-shift absorption and high charge mobilities as well as good phase-separated morphologies, thus leading to higher power conversion efficiency of 6.59% in nonfullerene PSCs compared with another polymer PfBTAZT-BDT without F atom at the BDT unit, indicating that fBTAZT can be acted as a medium strong organic acceptor to build D-A polymer donor for high efficient PSCs.

Shunt resistance (RSH) is obtained via reproducing the real photovoltaic performance of organic solar cells based on the full model of the Shockley equation. With an increasing illumination intensity, the RSH of devices decreases markedly, which is attributed to an increase in the free volume of their photoactive layer. The thermal vibration of molecules (polymeric segments) is markedly enhanced under high-intensity illumination (photoexcitation), loosening intermolecular packing and thereby increasing the free volume of the photoactive layer. In addition, the larger surface roughness of the photoactive layer markedly decreases the RSH of the device. Under 1 sun AM 1.5 G illumination, the values of RSH in state-of-the-art organic solar cells are estimated to be about 500–3000 Ω cm2, while under 500 lux illumination, RSH is calculated to be ∼26 000 Ω cm2. This study points out that it is crucial to significantly increase RSH in organic solar cells under illumination, which is very helpful for efficiency improvement under low-intensity illumination and the large-area fabrication of organic photovoltaics. [ABSTRACT FROM AUTHOR]

Incorporating narrow-bandgap near-infrared absorbers as the third component in a donor/acceptor binary blend is a new strategy to improve the power conversion efficiency (PCE) of organic photovoltaics (OPV). However, there are two main restrictions: potential charge recombination in the narrow-gap material and miscompatibility between each component. The optimized design is to employ a third component (structurally similar to the donor or acceptor) with a lowest unoccupied molecular orbital (LUMO) energy level similar to the acceptor and a highest occupied molecular orbital (HOMO) energy level similar to the donor. In this design, enhanced absorption of the active layer and enhanced charge transfer can be realized without breaking the optimized morphology of the active layer. Herein, in order to realize this design, two new narrow-bandgap nonfullerene acceptors with suitable energy levels and chemical structures are designed, synthesized, and employed as the third component in the donor/acceptor binary blend, which boosts the PCE of OPV to 11.6%.

Innate behaviors are genetically encoded, but their underlying molecular mechanisms remain largely unknown. Predator odor 2,4,5-trimethyl-3-thiazoline (TMT) and its potent analog 2-methyl-2-thiazoline (2MT) are believed to activate specific odorant receptors to elicit innate fear/defensive behaviors in naive mice. Here, we conduct a large-scale recessive genetics screen of ethylnitrosourea (ENU)-mutagenized mice. We find that loss of Trpa1, a pungency/irritancy receptor, diminishes TMT/2MT and snake skin-evoked innate fear/defensive responses. Accordingly, Trpa1 -/- mice fail to effectively activate known fear/stress brain centers upon 2MT exposure, despite their apparent ability to smell and learn to fear 2MT. Moreover, Trpa1 acts as a chemosensor for 2MT/TMT and Trpa1-expressing trigeminal ganglion neurons contribute critically to 2MT-evoked freezing. Our results indicate that Trpa1-mediated nociception plays a crucial role in predator odor-evoked innate fear/defensive behaviors. The work establishes the first forward genetics screen to uncover the molecular mechanism of innate fear, a basic emotion and evolutionarily conserved survival mechanism.

We report the results of a DREAM challenge designed to predict relative genetic essentialities based on a novel dataset testing 98,000 shRNAs against 149 molecularly characterized cancer cell lines. We analyzed the results of over 3,000 submissions over a period of 4 months. We found that algorithms combining essentiality data across multiple genes demonstrated increased accuracy; gene expression was the most informative molecular data type; the identity of the gene being predicted was far more important than the modeling strategy; well-predicted genes and selected molecular features showed enrichment in functional categories; and frequently selected expression features correlated with survival in primary tumors. This study establishes benchmarks for gene essentiality prediction, presents a community resource for future comparison with this benchmark, and provides insights into factors influencing the ability to predict gene essentiality from functional genetic screens. This study also demonstrates the value of releasing pre-publication data publicly to engage the community in an open research collaboration.

Identifying accurate biomarkers of cognitive decline is essential for advancing early diagnosis and prevention therapies in Alzheimer's disease. The Alzheimer's disease DREAM Challenge was designed as a computational crowdsourced project to benchmark the current state-of-the-art in predicting cognitive outcomes in Alzheimer's disease based on high dimensional, publicly available genetic and structural imaging data. This meta-analysis failed to identify a meaningful predictor developed from either data modality, suggesting that alternate approaches should be considered for prediction of cognitive performance.