This paper describes the technique designated best performer in the 2nd conference on Dialogue for Reverse Engineering Assessments and Methods (DREAM2) Challenge 5 (unsigned genome‐scale network ...prediction from blinded microarray data). Existing algorithms use the pairwise correlations of the expression levels of genes, which provide valuable but insufficient information for the inference of regulatory interactions. Here we present a computational approach based on the recently developed context likelihood of related (CLR) algorithm, extracting additional complementary information using the information theoretic measure of synergy and assigning a score to each ordered pair of genes measuring the degree of confidence that the first gene regulates the second. When tested on a set of publicly available Escherichia coli gene‐expression data with known assumed ground truth, the synergy augmented CLR (SA‐CLR) algorithm had significantly improved prediction performance when compared to CLR. There is also enhanced potential for biological discovery as a result of the identification of the most likely synergistic partner genes involved in the interactions.
We report the de novo design of a potent series of imidazole based inhibitors of B-Raf V600E, a novel 3+2 cycloaddition route to obtain tri-substituted imidazoles, the biochemical evaluation of a ...series of analogues, and unique kinase inhibition profiles of three selected molecules.
B-Raf protein kinase, which is a key signaling molecule in the RAS–RAF–MEK–ERK signaling pathway, plays an important role in many cancers. The B-Raf V600E mutation represents the most frequent oncogenic kinase mutation known and is responsible for increased kinase activity in approximately 7% of all human cancers, establishing B-Raf as an important therapeutic target for inhibition. Through the use of an iterative program that utilized a chemocentric approach and a rational structure based design, we have developed novel, potent, and specific DFG-out allosteric inhibitors of B-Raf kinase. Here, we present efficient and versatile chemistry that utilizes a key one pot, 3+2 cycloaddition reaction to obtain highly substituted imidazoles and their application in the design of allosteric B-Raf inhibitors. Inhibitors based on this scaffold display subnanomolar potency and a favorable kinase profile.
The power conversion efficiency (PCE) of single‐junction perovskite solar cells (PSCs) is being rapidly promoted towards their theoretical limit, with a certified value of 25.7%. Reducing optical ...loss will further contribute to PCE improvement. Here, the optical loss including reflection loss, absorption loss, and transmission loss in printable mesoscopic perovskite solar cells (p‐MPSCs) is analyzed. A printable mesoporous SiO2 antireflection coating for improving the transmittance of the fluorine‐doped tin oxide (FTO) glass substrate by reducing optical reflection at the air/glass interface is reported. With modulated porosity and thickness, the mesoporous SiO2 film constructs a graded refractive index interface and increases the transmittance of FTO glass by ≈2%–4% in the spectral range of 350–800 nm at normal incident angle with the highest transmittance improved from 85% to 89%. The SiO2 coating also exhibits wide‐angle and broadband antireflection properties. The coatings successfully help p‐MPSCs obtain about an average 3% enhancement in the short‐circuit current density (JSC) and PCE. This study demonstrates the necessity of optical management for efficient solar cells and provides a cost‐effective and scalable antireflection coating for the future realistic application of PSCs.
The optical loss including reflection loss, transmission loss, and absorption loss in printable mesoscopic perovskite solar cells is analyzed and a printable mesoporous SiO2 film is developed to reduce the reflection loss at the air/glass interface which successfully improves the transmittance of the fluorine‐doped tin oxide glass and enhances the short‐circuit current density and efficiency of devices by about 3%.
The planar SnO2 electron transport layer (ETL) has contributed to the reported power conversion efficiency (PCE) record of perovskite solar cells (PSCs), while the high‐temperature mesoporous SnO2 ...ETL (mp‐SnO2) brings poor device performance. Herein, we report the application of mp‐SnO2 for efficient printable PSCs via oxygen vacancy (OV) management by introducing magnesium (Mg) into the paste. We find that high‐temperature annealing suppresses self‐doping of SnO2 by reducing OVs. The introduced Mg occupies both the Sn site and interstitial site of SnO2 and promotes the formation of OVs. Lattice Mg tends to induce neutral OVs and interstitial Mg could promote the ionization of neutral OVs for self‐doping. The synergy effect on OVs increases the carrier density and upshifts the Fermi level energy of mp‐SnO2, ensuring its capability as the well‐performed ETL with trap‐less charge transport and suppressed surface recombination for dramatic improved device PCE from 6.62 % to 17.25 %.
Oxygen vacancies (OVs) were managed by the lattice Mg and the interstitial Mg which modulated the formation and ionization of OVs for self‐doping in SnO2. OV management optimized the capability of high‐temperature mesoporous SnO2 to serve as well‐performed ETLs for printable PSCs with efficiency enhanced from 6.62 % to 17.25 %.
Additives are widely adopted for efficient perovskite solar cells (PSCs), and proper additive design contributes a lot to PSCs’ various breakthroughs. Herein, a novel additive of ...N,1‐fluoroformamidinium iodide (F‐FAI), whose cation replaces one amino group in guanidinium (GA+) with electron‐withdrawing fluorine group, is synthesized and applied as the additive for PSCs. The electron‐withdrawing effect of fluorine promotes the molecular polarity of N,1‐fluoroformamidine (F‐FA), enhancing the interaction of N,1‐fluoroformamidinium (F‐FA+) with MAPbI3. Compared with the nonpolar GA+, F‐FA+ improves the crystallinity, passivates the defect, and downshifts the Fermi level of MAPbI3 more significantly. The charge transfer and built‐in field in printable triple mesoscopic PSCs are therefore enhanced. Moreover, charge transport in MAPbI3 is also promoted by F‐FAI. With these benefits, a power conversion efficiency of 17.01% for printable triple mesoscopic PSCs with improved open‐circuit voltage and fill factor is obtained with the addition of F‐FAI, superior to the efficiency of 15.24% for those devices with guanidinium iodide additives.
N,1‐fluoroformamidinium iodide (F‐FAI), whose cation replaces one amino group of guanidinium (GA+) with electron‐withdrawing fluorine group, is synthesized and used as an additive for printable triple mesoscopic perovskite solar cells. The electron‐withdrawing effect of fluorine promotes the molecular polarity of F‐FA, which enhances the interaction of F‐FA+ with MAPbI3 than that of GA+. Compared with guanidinium iodide, improved performance is achieved with the addition of F‐FAI.
Halide perovskite semiconductors such as MAPbI3 always fluctuate around their stoichiometric compositions due to the weighing or annealing, which causes performance variation of related devices. ...Here, we investigate the comprehensive impact of non-stoichiometric MAPbI3 precursor on the performance including power conversion efficiency (PCE), hysteresis, and stability of printable mesoscopic perovskite solar cells (p-MPSCs). Excess MAI improves PCE, suppresses hysteresis, and enhances stability by promoting hole transport and passivating defects evaluated by a designed mesoporous space-charge-limited-current device, while excess PbI2 impairs device performance. Replacing excess MAI with other monovalent cation halide salts including guanidinium iodide (GUAI), 2-phenylethylamine hydroiodide (PEAI) and rubidium iodide (RbI) further improves the device PCE to 17.02% and minimizes the hysteresis. Our work reveals that making monovalent cation halide salts such as MAI rather than PbI2 excessive is positive for the comprehensive performance enhancement of PSCs and developing more suitable salt substitution will benefit industrializing PSCs.
Abstract
The power conversion efficiency (PCE) of single‐junction perovskite solar cells (PSCs) is being rapidly promoted towards their theoretical limit, with a certified value of 25.7%. Reducing ...optical loss will further contribute to PCE improvement. Here, the optical loss including reflection loss, absorption loss, and transmission loss in printable mesoscopic perovskite solar cells (p‐MPSCs) is analyzed. A printable mesoporous SiO
2
antireflection coating for improving the transmittance of the fluorine‐doped tin oxide (FTO) glass substrate by reducing optical reflection at the air/glass interface is reported. With modulated porosity and thickness, the mesoporous SiO
2
film constructs a graded refractive index interface and increases the transmittance of FTO glass by ≈2%–4% in the spectral range of 350–800 nm at normal incident angle with the highest transmittance improved from 85% to 89%. The SiO
2
coating also exhibits wide‐angle and broadband antireflection properties. The coatings successfully help p‐MPSCs obtain about an average 3% enhancement in the short‐circuit current density (
J
SC
) and PCE. This study demonstrates the necessity of optical management for efficient solar cells and provides a cost‐effective and scalable antireflection coating for the future realistic application of PSCs.
The planar SnO
electron transport layer (ETL) has contributed to the reported power conversion efficiency (PCE) record of perovskite solar cells (PSCs), while the high-temperature mesoporous SnO
ETL ...(mp-SnO
) brings poor device performance. Herein, we report the application of mp-SnO
for efficient printable PSCs via oxygen vacancy (OV) management by introducing magnesium (Mg) into the paste. We find that high-temperature annealing suppresses self-doping of SnO
by reducing OVs. The introduced Mg occupies both the Sn site and interstitial site of SnO
and promotes the formation of OVs. Lattice Mg tends to induce neutral OVs and interstitial Mg could promote the ionization of neutral OVs for self-doping. The synergy effect on OVs increases the carrier density and upshifts the Fermi level energy of mp-SnO
, ensuring its capability as the well-performed ETL with trap-less charge transport and suppressed surface recombination for dramatic improved device PCE from 6.62 % to 17.25 %.
IGT family genes function critically to regulate lateral organ orientation in plants. However, little information is available about this family of genes in
. In this study, 27 BnIGT genes were ...identified on 16 chromosomes and divided into seven clades, namely
and
(
), based on their phylogenetic relationships. Duplication analysis revealed that 91.1% of the gene pairs were derived from whole-genome duplication. Most BnIGT genes had a similar structural pattern with one or two very short exons followed by a long and a shorter exon. Common and specific motifs were identified among the seven clades, and motif 1, containing the family-specific GφL(A/T)IGT sequence, was observed in all clades except
. Three types of cis-elements pertinent to transcription factor binding, light responses, and hormone signaling were detected in the BnIGT promoters. Intriguingly, more than half of the BnIGT genes exhibited no or very low expression in various tissues, and the
and
clade members showed distinct tissue expression preferences. Coexpression analysis revealed that the
members had strong associations with cell wall biosynthesis genes. This analysis provides a deeper understanding of the BnIGT gene family and will facilitate further deduction of their role in regulating plant architecture in
.
