Subcellular localization prediction of protein is an important component of bioinformatics, which has great importance for drug design and other applications. A multitude of computational tools for ...proteins subcellular location have been developed in the recent decades, however, existing methods differ in the protein sequence representation techniques and classification algorithms adopted.
In this paper, we firstly introduce two kinds of protein sequences encoding schemes: dipeptide information with space and Gapped k-mer information. Then, the Gapped k-mer calculation method which is based on quad-tree is also introduced.
>From the prediction results, this method not only reduces the dimension, but also improves the prediction precision of protein subcellular localization.
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DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Using two-dimensional semiconductors to build heterojunction as photocatalyst for water splitting is an important green and clean energy technology and has wide development prospects. Here, the ...monolayered PtS2 and g-C3N4 are used to build the direct Z-scheme van der Waals (vdW) heterostructure, and the structure, electrical, Bader charge, optical properties and solar-to-hydrogen efficiency are calculated in detail through first-principle calculations. The direct Z-scheme PtS2/g-C3N4 vdW heterostructure has an inherent type-II band alignment that enables it to reduce the photogenerated carriers aggregation, and it also possesses a decent band edge position to fully induce the redox reactions of decomposed water. The charge density shows that PtS2 monolayer is negatively charged while g-C3N4 monolayer is positively charged, and the interface potential drop of PtS2/g-C3N4 vdW heterostructure forms a built-in electric field with the direction from g-C3N4 to PtS2. The PtS2/g-C3N4 vdW heterostructure has suitable optical property, outstanding solar-to-hydrogen efficiency, high catalytic activity and thus a promising application prospect for photocatalytic water splitting.
Band edge alignments of the PtS2 and g-C3N4 monolayers as well as the PtS2/g-C3N4 vdW heterostructure. Display omitted
•PtS2/g-C3N4 heterostructure is a direct Z-scheme heterostructure.•PtS2/g-C3N4 heterostructure has a large built-in electric field from g-C3N4 to PtS2 layer.•PtS2/g-C3N4 heterostructure has a maximum absorption of 5.82×105cm−1 near 400 nm.•PtS2/g-C3N4 heterostructure has a high solar-to-hydrogen efficiency of 31.64 %.•PtS2/g-C3N4 heterostructure is a promising water-splitting photocatalyst.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPUK, ZAGLJ, ZRSKP
Chemical synthesis of insulin superfamily proteins (ISPs) has recently been widely studied to develop next‐generation drugs. Separate synthesis of multiple peptide fragments and tedious ...chain‐to‐chain folding are usually encountered in these studies, limiting accessibility to ISP derivatives. Here we report the finding that insulin superfamily proteins (e.g. H2 relaxin, insulin itself, and H3 relaxin) incorporating a pre‐made diaminodiacid bridge at A‐B chain terminal disulfide can be easily and rapidly synthesized by a single‐shot automated solid‐phase synthesis and expedient one‐step folding. Our new H2 relaxin analogues exhibit almost identical structures and activities when compared to their natural counterparts. This new synthetic strategy will expediate production of new ISP analogues for pharmaceutical studies.
The insulin family proteins (e.g. H2 relaxin, insulin itself, and H3 relaxin) incorporating a pre‐made diaminodiacid bridge (DADA) at A‐B chain terminal disulfide can be very easily and rapidly synthesized by a single‐shot automated solid‐phase synthesis. These new insulin analogues exhibit almost identical structures and activities when compared to their natural counterparts.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Microalgal-bacterial granular sludge (MBGS) process has a gorgeous prospect for municipal wastewater treatment, but the research on the treatment of complex organic wastewater by MBGS process with ...CO2 addition under outdoor conditions is not enough. Therefore, this paper evaluated the feasibility of CO2-added MBGS process for complex organic wastewater disposal under natural day-night cycles. The results showed that the addition of CO2 overall improved the removal efficiency of pollutants. Typically, the removal efficiency of total phosphorus increased averagely from 88.5 % to 95.0 % in 12-h day cycle and from 26.2 % to 45.3 % in 12-h night cycle. The addition of CO2 increased the size of MBGS from 1.0 mm to 16.5 mm within 30 days due to extracellular polymeric substances secretion and the dominant filamentous microalgae on granules. The decrease of catalase activity and malondialdehyde content indicated that CO2 reduced oxidative damage and maintained the normal growth of MBGS. Further estimates of the collected gas showed that CO2-added MBGS process could reduce global CO2 emissions by one hundred million tons per year. This study is expected to contribute to the goal of carbon neutrality in the area of wastewater treatment by MBGS process.
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•CO2-added microalgal-bacterial granular sludge (MBGS) was evaluated outdoors.•CO2 addition promoted the phosphorus removal for both day and night cycles.•CO2 favored the MBGS growth with filamentous microalgae on the granule surface.•CO2 -added MBGS process contributed to the global carbon neutrality.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPUK, ZAGLJ, ZRSKP
•KLHL3 decreases protein abundance of WNK4 but not that of NCC.•KLHL3 reduces the level of phosphorylated OSR1 but not that of total OSR1 protein.•Both cullin 3 and KLHL3 are involved in the ...degradation of WNK4.•KLHL3 increases the ubiquitination of WNK4 protein.•Mutations in KLHL3 reduce the inhibitory effect of KLHL3 on WNK4 protein abundance.
Mutations in with-no-lysine (K) kinase 4 (WNK4) and a ubiquitin E3 ligase complex component kelch-like 3 (KLHL3) both cause pseudohypoaldosteronism II (PHAII), a hereditary form of hypertension. We determined whether WNK4 or its effector is regulated by KLHL3 in Xenopus oocytes. KLHL3 inhibited the positive effect of WNK4 on Na+–Cl− cotransporter (NCC) by decreasing WNK4 protein abundance without decreasing that of NCC and the downstream kinase OSR1 directly. Ubiquitination and degradation of WNK4 were induced by KLHL3. The effect of KLHL3 on WNK4 degradation was blocked by a dominant negative form of cullin 3. All five PHAII mutations of KLHL3 tested disrupted the regulation on WNK4. We conclude that KLHL3 is a substrate adaptor for WNK4 in a ubiquitin E3 ligase complex.
CUL3physically interacts with KLHL3 by pull down(View interaction)
WNK4physically interactswithKLHL3 by pull down (View interaction)
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BFBNIB, FZAB, GEOZS, GIS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, SBMB, UILJ, UL, UM, UPUK, ZAGLJ, ZRSKP
The utilization of heterostructures as photocatalysts for water decomposition is a promising method to tackle contemporary environmental challenges. This research paper presents the design of a ...direct Z-scheme heterostructure utilizing a monolayer of GeC and a monolayer of arsenene, based on first-principle calculations. The photocatalytic efficiency of this GeC/arsenene van der Waals (vdW) heterostructure in a direct Z scheme has been investigated. The presence of a built-in electric field from the GeC monolayer to the arsenene monolayer has been established through an analysis of band alignment, work function, charge density, and Bader charge. The GeC/arsenene heterostructure exhibits excellent and robust optical absorption efficiency for the sunlight, alongside achieving the maximum solar-to-hydrogen (STH) energy conversion efficiency, amounting to 7.28%, under a biaxial strain of +4%. Furthermore, the Gibbs free energy changes in the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) of the GeC/arsenene heterostructure have been calculated. The outcomes indicate that the GeC/arsenene heterostructure is a feasible semiconductor for photocatalytic water splitting.
Band edge positions and Z-scheme photocatalytic mechanism of the GeC/arsenene heterojunction. Display omitted
•GeC/arsenene heterostructure has a built-in electric field from GeC to arsenene layer.•GeC/arsenene heterostructure exhibits a high optical absorption under biaxial tensile strain.•The highest solar-to-hydrogen efficiency of 7.28% is obtained under +4% strain.•High catalytic activity for the hydrogen evolution reaction is confirmed by free energy calculations.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPUK, ZAGLJ, ZRSKP
► Cavitating flow around a twisted hydrofoil is studied by PANS method. ► Evolution of cavitation patterns are well predicted compared to experiments. ► The reasons for the primary and secondary ...shedding are discussed. ► The mechanism of cavitating horse-shoe vortex production is illustrated.
Cavitating turbulent flow around hydrofoils was simulated using the Partially-Averaged Navier–Stokes (PANS) method and a mass transfer cavitation model with the maximum density ratio (ρl/ρv,clip) effect between the liquid and the vapor. The predicted cavity length and thickness of stable cavities as well as the pressure distribution along the suction surface of a NACA66(MOD) hydrofoil compare well with experimental data when using the actual maximum density ratio (ρl/ρv,clip=43391) at room temperature. The unsteady cavitation patterns and their evolution around a Delft twisted hydrofoil were then simulated. The numerical results indicate that the cavity volume fluctuates dramatically as the cavitating flow develops with cavity growth, destabilization, and collapse. The predicted three dimensional cavity structures due to the variation of attack angle in the span-wise direction and the shedding cycle as well as its frequency agree fairly well with experimental observations. The distinct side-lobes of the attached cavity and the shedding U-shaped horse-shoe vortex are well captured. Furthermore, it is shown that the shedding horse-shoe vortex includes a primary U-shaped vapor cloud and two secondary U-shaped vapor clouds originating from the primary shedding at the cavity center and the secondary shedding at both cavity sides. The primary shedding is related to the collision of a radially-diverging re-entrant jet and the attached cavity surface, while the secondary shedding is due to the collision of side-entrant jets and the radially-diverging re-entrant jet. The local flow fields show that the interaction between the circulating flow and the shedding vapor cloud may be the main mechanism producing the cavitating horse-shoe vortex. Two side views described by iso-surfaces of the vapor volume fraction for a 10% vapor volume, and a non-dimensional Q-criterion equal to 200 are used to illustrate the formation, roll-up and transport of the shedding horse-shoe vortex. The predicted height of the shedding horse-shoe vortex increases as the vortex moves downstream. It is shown that the shape of the horse-shoe vortex for the non-dimensional Q-criterion is more complicated than that of the 10% vapor fraction iso-surface and is more consistent with the experiments. Further, though the time-averaged lift coefficient predicted by the PANS calculation is about 12% lower than the experimental value, it is better than other predictions based on RANS solvers.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UL, UM, UPUK
Band edge alignments of the free-standing GaN and InS monolayers as well as the GaN/InS vdW heterostructure at PH = 0.
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•The GaN/InS heterostructure is energetically favorable, ...especially the pattern H2.•The GaN/InS heterostructure is a typical type-II van der Waals heterostructure.•The GaN/InS heterostructure has enhanced optical absorption in visible light range.•The GaN/InS heterostructure has a high STH efficiency of 26.33%.•The GaN/InS heterostructure is a promising water-splitting photocatalyst.
Constructing heterostructure is a feasible way to look for powerful photocatalysts for water decomposition. Here, the monolayers GaN and InS are selected to construct the heterostructure, and the structure stability, electronic properties, Barder charge, optical performance and solar-to-hydrogen (STH) efficiency are details calculated by first-principle calculations. The results show that the GaN/InS van der Waals (vdW) heterojunction is a semiconductor with an indirect bandgap and has an inherent type-II band alignment, which can effectively separate photo-generated carriers and enhance their lifetime. The band edge positions of GaN/InS vdW heterostructure meet the requirement of photocatalyst to overall split water. Moreover, the charge density indicates that GaN monolayer is negatively charged while InS monolayer is positively charged. The interface of GaN/InS vdW heterojunction generates a built-in electric field pointing from InS to GaN, which can suppress the recombination of photogenerated electron-hole pair. Furthermore, the GaN/InS vdW heterostructure has more excellent optic performance in the visible region and fascinating STH efficiency, effectively improving solar energy utilization. These interesting properties render the GaN/InS vdW heterostructure high-efficiency photocatalysts for decomposing water. We also believe that the investigation of such vdW heterostructures has a significant meaning for the prediction and improvement of photocatalyst efficiency, as well as provides effective guidance for future applications of photoelectronic devices.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Sleep deprivation (SD) is increasingly common in modern society, which can lead to the dysregulation of inflammatory responses and cognitive impairment, but the mechanisms remain unclear. Emerging ...evidence suggests that gut microbiota plays a critical role in the pathogenesis and development of inflammatory and psychiatric diseases, possibly via gut microbiota-brain interactions and neuroinflammation. The present study investigated the impact of SD on gut microbiota composition and explored whether alterations of the gut microbiota play a causal role in chronic inflammatory states and cognitive impairment that are induced by SD. We found that SD-induced gut dysbiosis, inflammatory responses, and cognitive impairment in humans. Moreover, the absence of the gut microbiota suppressed inflammatory response and cognitive impairment induced by SD in germ-free (GF) mice. Transplantation of the "SD microbiota" into GF mice activated the Toll-like receptor 4/nuclear factor-κB signaling pathway and impaired cognitive function in the recipient mice. Mice that harbored "SD microbiota" also exhibited increases in neuroinflammation and microglial activity in the hippocampus and medial prefrontal cortex. These findings indicate that gut dysbiosis contributes to both peripheral and central inflammatory processes and cognitive deficits that are induced by SD, which may open avenues for potential interventions that can relieve the detrimental consequences of sleep loss.
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EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, KILJ, KISLJ, MFDPS, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, SBMB, SBNM, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
Enantioenriched fluorinated α‐ and β‐amino acids are often encountered in numerous pharmaceuticals and bioactive molecules, and also of great importance as probes in PET and NMR for studying the ...behavior of enzymes and for incorporation into peptides and drug candidates. Among various synthetic strategies developed, catalytic enantioselective synthesis proves to be one of the most facile and powerful protocols to construct such privileged structures. The past decade has witnessed considerable progress in the catalytic enantioselective construction of chiral fluorinated α‐ and β‐amino acid derivatives with structural diversity. In this review, we summarize these impressive achievements according to the bond‐forming way of fluorinated α‐ or β‐amino acids, respectively, and underline the remaining challenges. This information would provide important guidance and some inspiration for the researchers engaged in organic fluorine and medicinal chemistry.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
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