Stable Hydrogen Research Articles

Silk derived electrospun carbon nanofibers loaded with CoS nanoparticles as efficient hydrogen evolution reaction catalysts in acidic and alkaline media

The design of a stable and efficient hydrogen evolution catalyst across the entire pH range is of significant importance for the development of hydrogen production technology by electrocatalytic water splitting. This study chose biomass silk fibroin protein as the electrospinning raw material, synthesizing a hybrid membrane of CoS@carbon nanofibers (CNF) with a layered core–shell structure through simple carbonization and hydrothermal treatment. The CoS nanoparticles can grow uniformly and densely on the CNF. By varying the concentrations of hexahydrate cobalt nitrate (Co(NO3)2·6H2O) and thiourea (CH4N2S), the morphology of the synthesized CoS nanoparticles on CNF can be controlled. Different microscopic morphologies lead to differences in the activity of the hydrogen evolution reaction (HER), attributed to variations in the exposed active sites for different morphologies. Compared to pure CNF, the CoS-2@CNF hybrid membrane exhibits excellent HER activity in both acidic and alkaline electrolytes. This highlights the synergistic catalytic effect between CNF and CoS particles. This work provides guidance for the rational design of bio-based catalysts with excellent performance.

Superior MoTiN and NiMoTiN coating electrode with platinum-like catalytic activity fabricated by plasma electrolytic oxidation

Electrolyzing water is an effective and feasible technology to achieve a large-scale hydrogen production in industry. However, it is still challenging to develop an efficient approach to fabricate a superior and stable hydrogen evolution reaction (HER) electrodes with low cost and outstanding catalytic efficiency. This work presents an innovative surface modification technique of plasma electrolytic oxidation (PEO) to fabricate superior MoN based coating electrodes. By simply introducing Na2MoO4 and NiAc2 into the electrolyte, a novel MoTiN and NiMoTiN coatings were successfully achieved on the surface of a titanium substrate by PEO and annealing treatments, which exhibits excellent mechanical adhesion and platinum-like catalytic properties. Importantly, it has been demonstrated that the newly formed MoTiN solid solution combined by active Mo2N and conductive TiN can contribute the superior catalytic activity and the subsequent Ni doping can effectively stabilize the structure and activity of MoTiN. Under the alkaline environment of 1 M KOH, the MoTiN and NiMoTiN coated electrodes require only 126 and 121 mV overpotential, respectively, to achieve a current density of 10 mA cm−2. Additionally, under the same test conditions, NiMoTiN can operate stably for over 24 h, demonstrating excellent HER catalytic activity and stability. This work provides new insights into the preparation of HER electrodes with superior mechanical properties and excellent catalytic performance towards industrial hydrogen production.

Investigation of collagen reconstruction mechanism in skin wound through dual-beam laser welding: Insights from multi-spectroscopy, molecular dynamics simulation, and finite element multiphysics simulation

Since the mechanism underlying real-time acquisition of mechanical strength during laser-induced skin wound fusion remains unclear, and collagen is the primary constituent of skin tissue, this study investigates the structural and mechanical alterations in collagen at temperatures ranging from 40 °C to 60 °C using various spectroscopic techniques and molecular dynamics calculations. The COMSOL Multiphysics coupling is employed to simulate the three-dimensional temperature field, stress-strain relationship, and light intensity distribution in the laser thermal affected zone of skin wounds during dual-beam laser welding process. Raman spectroscopy, synchronous fluorescence spectroscopy and circular dichroism measurement results confirm that laser energy activates biological activity in residues, leading to a transformation in the originally fractured structure of collagen protein for enhanced mechanical strength. Molecular dynamics simulations reveal that stable hydrogen bonds form at amino acid residues within the central region of collagen protein when the overall temperature peak around the wound reaches 60 °C, thereby providing stability to previously fractured skin incisions and imparting instantaneous strength. However, under a 55 °C system, Type I collagen ensures macrostructural stability while activating biological properties at amino acid bases to promote wound healing function; this finding aligns with experimental analysis results. The COMSOL simulation outcomes also correspond well with macroscopic morphology after laser welding samples, confirming that by maintaining temperatures between 55 °C–60 °C during laser welding of skin incisions not only can certain instantaneous mechanical strength be achieved but irreversible thermal damage can also be effectively controlled. It is anticipated that these findings will provide valuable insights into understanding the healing mechanism for laser-welded skin wounds.

Sc-Modified C3N4 Nanotubes for High-Capacity Hydrogen Storage: A Theoretical Prediction.

Utilizing hydrogen as a viable substitute for fossil fuels requires the exploration of hydrogen storage materials with high capacity, high quality, and effective reversibility at room temperature. In this study, the stability and capacity for hydrogen storage in the Sc-modified C3N4 nanotube are thoroughly examined through the application of density functional theory (DFT). Our finding indicates that a strong coupling between the Sc-3d orbitals and N-2p orbitals stabilizes the Sc-modified C3N4 nanotube at a high temperature (500 K), and the high migration barrier (5.10 eV) between adjacent Sc atoms prevents the creation of metal clusters. Particularly, it has been found that each Sc-modified C3N4 nanotube is capable of adsorbing up to nine H2 molecules, and the gravimetric hydrogen storage density is calculated to be 7.29 wt%. It reveals an average adsorption energy of -0.20 eV, with an estimated average desorption temperature of 258 K. This shows that a Sc-modified C3N4 nanotube can store hydrogen at low temperatures and harness it at room temperature, which will reduce energy consumption and protect the system from high desorption temperatures. Moreover, charge donation and reverse transfer from the Sc-3d orbital to the H-1s orbital suggest the presence of the Kubas effect between the Sc-modified C3N4 nanotube and H2 molecules. We draw the conclusion that a Sc-modified C3N4 nanotube exhibits exceptional potential as a stable and efficient hydrogen storage substrate.

Efficient solar-powered PEM electrolysis for sustainable hydrogen production: an integrated approach

The coupling of photovoltaics (PVs) and PEM water electrolyzers (PEMWE) is a promising method for generating hydrogen from a renewable energy source. While direct coupling is feasible, the variability of solar radiation presents challenges in efficient sizing. This study proposes an innovative energy management strategy that ensures a stable hydrogen production rate, even with fluctuating solar irradiation. By integrating battery-assisted hydrogen production, this approach allows for decentralized, grid-independent renewable energy systems, mitigating instability from PV intermittency. The system utilizes electrochemical storage to absorb excess energy during periods of low or very high irradiation, which falls outside the electrolyzer’s optimal power input range. This stored energy then supports the PV system, ensuring the electrolyzer operates near its nominal capacity and optimizing its lifetime. The system achieves an efficiency of 7.78 to 8.81% at low current density region and 6.6% at high current density in converting solar energy into hydrogen.

Rational Design of NIR-II G-Quadruplex Fluorescent Probes for Accurate In Vivo Tumor Metastasis Imaging.

Accurate in vivo imaging of G-quadruplexes (G4) is critical for understanding the emergence and progression of G4-associated diseases like cancer. However, existing in vivo G4 fluorescent probes primarily operate within the near-infrared region (NIR-I), which limits their application accuracy due to the short emission wavelength. The transition to second near-infrared (NIR-II) fluorescent imaging has been of significant interest, as it offers reduced autofluorescence and deeper tissue penetration, thereby facilitating more accurate in vivo imaging. Nonetheless, the advancement of NIR-II G4 probes has been impeded by the absence of effective probe design strategies. Herein, through a "step-by-step" rational design approach, we have successfully developed NIRG-2, the first small-molecule fluorescent probe with NIR-II emission tailored for in vivo G4 detection. Molecular docking calculations reveal that NIRG-2 forms stable hydrogen bonds and strong π-π interactions with G4 structures, which effectively inhibit twisted intramolecular charge transfer (TICT) and, thereby, selectively illuminate G4 structures. Due to its NIR-II emission (940 nm), large Stokes shift (90 nm), and high selectivity, NIRG-2 offers up to 47-fold fluorescence enhancement and a tissue imaging depth of 5 mm for in vivo G4 detection, significantly outperforming existing G4 probes. Utilizing NIRG-2, we have, for the first time, achieved high-contrast visualization of tumor metastasis through lymph nodes and precise tumor resection. Furthermore, NIRG-2 proves to be highly effective and reliable in evaluating surgical and drug treatment efficacy in cancer lymphatic metastasis models. We are optimistic that this study not only provides a crucial molecular tool for an in-depth understanding of G4-related diseases in vivo but also marks a promising strategy for the development of clinical NIR-II G4-activated probes.

XPS Analysis of FexNiyPS3 vdW Materials Used in the Hydrogen Evolution Processes.

In response to the global demand for sustainable energy solutions, the quest for stable and cost-effective hydrogen production has garnered significant attention in recent decades. Here, the emergence of layered metal phosphorus trichalcogenides (MPX3, M: transition metal, X: chalcogen) materials and their two-dimensional counterparts with customizable composition and electronic structure holds great promise for such purposes. In the present study, we successfully synthesized large-scale and high-quality FePS3, NiPS3, and an alloyed counterpart, Fe0.5Ni0.5PS3. Subsequent systematic investigations were conducted to probe their respective electronic structures and assess their hydrogen evolution reaction (HER) properties. Remarkably, our results unveiled the successful modulation of the bandgap for FexNiyPS3, ultimately bestowing it with the most favorable HER performance for Fe0.5Ni0.5PS3 when compared to the other two samples. Furthermore, our exploration into the evolution of the X-ray photoelectron spectroscopy (XPS) spectra demonstrated that the charge conversions of metal cations play a pivotal role in the HER reactions. This critical insight further enriches our understanding of the fundamental mechanisms governing the performance of the prepared layered MPX3-based electrocatalysts, thus facilitating a comprehensive and detailed analysis of the pre- and post-HER reactions. This work not only sheds light on the intricate interplay between composition, electronic structure, and catalytic performance in the realm of novel electrocatalysts, but also contributes to the broader scientific community's pursuit of sustainable and efficient hydrogen production.

Rational Design of Multiple Heterostructures with Synergistic Effect for Efficient and Stable Hydrogen Evolution Toward Industrial Alkaline Water Splitting

AbstractElectrocatalytic hydrogen evolution reaction (HER) via alkaline water splitting holds great promise for industrial clean hydrogen production but is frustrated by limited catalytic activity and inferior stability under high current density. Elaborate manipulating of heterostructure on robust catalytic electrodes is essential but challenging for accelerating HER kinetics with high durability. Herein, a robust nickel mesh electrode, offering high mechanical stability, is directly engineered with catalytic layers of multiple heterostructures (r‐Mn–Ni/CoP) via facile one‐pot electrodeposition followed by surface reconstruction strategy. The abundant heterostructures composed of crystalline CoP, NiP, amorphous region, and additional Mn doping considerably manipulate the electronic structure with optimized charge transfer; while the in situ surface‐reconstructed hydrophilic nanoflakes enable the rapid wetting of active sites to the electrolyte. Consequently, the r‐Mn–Ni/CoP requires only 134 mV overpotential at the current density of 100 mA cm−2, superior to monophasic and undoped samples, and the majority of reported HER catalysts. Remarkably, an electrolyzer with r‐Mn–Ni/CoP on a nickel mesh cathode demonstrates extraordinary activity with a voltage of 1.734 V at 300 mA cm−2 and stable operation of 800 h. The finding provides a feasible strategy for the fabrication of nonprecious‐metal‐based HER electrocatalysts with high activity and stability toward industrial water electrolysis.

Solution Processing Silicon Heterojunction Photocathode for Efficient and Stable Hydrogen Production.

Efficient and stable photocathodes are crucial for the development of photoelectrochemical (PEC) water-splitting devices. Silicon heterojunction (SHJ) solar cell is one of the most advanced photovoltaic cells. However, due to the instability of its outermost indium tin oxide (ITO) layers in the electrolyte, a protective layer needs to be introduced on its surface. Previously reported high-quality protective layers almost all involved the use of expensive thin film manufacturing techniques such as atomic layer deposition (ALD). In this work, for the first time, a new strategy is proposed of modifying SHJ-based photocathode with yttrium hydroxide (Y(OH)3) through two-step solution methods to simultaneously improve the stability and activity. The optimized SHJ photocathode exhibits a high applied bias photon-to-current efficiency (ABPE) of 8.4% under simulated 100mWcm-2 (1 Sun) with an AM 1.5G filter in 0.5m KOH. Furthermore, the obtained SHJ photocathode demonstrates excellent stability of at least 110h at 0.3V versus RHE. In this work, combining facile direct current magnetron sputtering with a solution treatment technique provides a novel design strategy, which lowers the threshold for preparing high-quality protective layer, and paves the way for developing economic, efficient, and stable SHJ-based PEC devices.

Research Progress of Environment Friendly Plasticizers for Cellulose Acetate Processing

Cellulose acetate (CA) is an important cellulose derivative that can undergo thermoplastic processing. Plasticizers can form stable hydrogen bonds with CA molecular chains, reducing intermolecular and intramolecular interactions, and play an important role in the melting processing of CA. In recent years, environmentally friendly plasticizers that are natural, non-toxic, odorless, low dissolution, and low migration have received increasing attention in plastic processing. This article reviews the research progress of environmentally friendly plasticizers such as natural plasticizers, ionic liquid plasticizers, citrate plasticizers, and polyethylene glycol plasticizers in the processing of cellulose acetate, and looks forward to the application prospects of environmentally friendly plasticizers.

Platinum-decorated graphene: Experimental insight into growth mechanisms and hydrogen adsorption properties

Pt-functionalized graphene shows promise for near-ambient hydrogen storage due to graphene’s potential as a hydrogen host and platinum’s role as a catalyst for the hydrogen evolution reaction and spillover effect. This study explores Pt cluster formation on epitaxial graphene and its suitability for hydrogen storage. Scanning Tunneling Microscopy reveals two growth pathways. Initially, up to ∼1 monolayer of Pt coverage, Pt tends to randomly disperse and cover the graphene surface, whereas the cluster height remains unchanged. Beyond a coverage of 3 monolayer, the nucleation of new layers on existing clusters becomes predominant, and the clusters mainly grow in height. Thermal Desorption Spectroscopy on hydrogenated Pt-decorated graphene reveals the presence of multiple hydrogen adsorption mechanisms. Two Gaussian peaks, which we attribute to hydrogen physisorbed (peak at 155°C) and chemisorbed (peak at 430°C) on the surface of Pt clusters are superimoposed on a linearly increasing background assigned to hydrogen bonded in the bulk of the Pt clusters. These measurements demonstrate the ability of Pt-functionalized graphene to store molecular hydrogen at temperatures that are high enough for stable hydrogen binding at room temperature.

Seasonal variation of water utilization sources and responses to precipitation in the dominant species of broad-leaved and needle-leaved mixed forests in Mount Lushan, China

Elucidating the seasonal patterns of water sources for dominant species in the sub-tropical humid mountainous forest, analyzing the eco-hydrological complementarity and competition mechanisms among coexisting species, investigating the responses of plant water utilization to precipitation, could provide a theoretical basis for vegetation restoration and management. Based on the stable hydrogen and oxygen isotope technique, we analyzed the δ2H and δ18O characteristics of precipitation, xylem water from Pinus massoniana and Quercus variabilis, and soil water from 0-100 cm depth in Mount Lushan, China. The MixSIAR model, Levins index, and PS index were used to calculate the relative contribution rate of each water source, the hydrological niche breadth, and niche overlap of P. massoniana and Q. variabilis. The results showed that, in the wet season (March to July), P. massoniana primarily utilized soil water from the 0-20 cm and 20-40 cm depths, while Q. variabilis primarily utilized that from the 20-40 cm and 40-60 cm depths. During the dry season (August to September), P. massoniana and Q. variabilis utilized 40-60 cm and 60-80 cm of soil water, respectively, resulting in an increase in the depth of water absorption. In the early growing season (March to April) and the late growing season (September), there was a high hydrological niche overlap between P. massoniana and Q. variabilis, resulting in intensitive water competition. In the middle of the growing season (May to August), the water source was adequately allocated, and the hydrolo-gical niche was segregated to meet the high transpiration demand. Q. variabilis primarily utilized soil water from a depth of 60-80 cm and 60-80 cm before a precipitation event, and from a depth of 0-20 cm and 20-40 cm after the event. In contrast, P. massoniana primarily utilized soil water from a depth of 0-20 cm and 20-40 cm both before and after a precipitation event. In conclusion, water utilization patterns of P. massoniana and Q. variabilis exhibited a seasonal trend, with shallow water uptake during the rainy season and deep water uptake during the dry season. These species are capable of efficiently allocating water resources during the peak growth season, and their root systems actively respond to change in soil moisture level. They have strong adaptability to extreme precipitation events and exhibit remarkable water conservation capabilities.

Continental-scale migration patterns and origin of Helicoverpa zea (Lepidoptera: Noctuidae) based on a biogeochemical marker.

Insect migrations have ecological and economic impacts, particularly in agriculture. However, there is limited knowledge about the migratory movements of pests at the continental scale, which is an important factor influencing the spread of resistance genes. Understanding the migratory patterns of economic pests, like Helicoverpa zea (Boddie), is essential for improving Integrated Pest Management (IPM) and Insect Resistance Management (IRM) strategies. In this study, we used stable hydrogen isotopic ratios in wing tissue as a biogeochemical marker to examine migratory patterns and estimate the native origins of H. zea individuals collected across a wide latitudinal gradient in North America. Samples collected at higher latitudes (Ontario, Canada and Minnesota, USA) exhibited a greater proportion (60%-96%) of nonlocal individuals, with an increased probability of origin from the southeastern United States. Populations from mid-latitudes (Florida, North Carolina, and South Carolina) showed a blend of local and nonlocal (40%-60%) individuals. Finally, 15% of the southernmost population individuals (Puerto Rico) were classified as migratory, with some having a probability of origin at higher latitudes (>30°). Overall, our results provide evidence of a northward spring/summer migration of H. zea in North America and underscore the significance of the southeastern United States as a hub for genetic flow. In addition, based on stable hydrogen isotopic ratios, there is strong evidence of reverse (southward) migration of H. zea from the continental United States to Puerto Rico. Our study highlights the implications for IPM and IRM programs and the need for management strategies that account for both northward and southward migration patterns.

Stable hydrogen storage of lithium borohydrides via the catalytic effect of Ni2B induced by thermodynamic destabilization reaction

Lithium borohydride (LiBH4) is regarded as a potential hydrogen storage material due to its high gravimetric and volumetric capacity, but its practical application suffers from high operating temperature and poor reversibility. Herein, porous hollow carbon microspheres composed of carbon-coated Ni nanoparticles with high content (denoted as Ni/C) are rationally designed as functional support, which not only induces effective nanoconfinement of LiBH4 but also promotes efficiently homogeneous destabilization reaction between LiBH4 and Ni nanoparticles. The introduction of Ni nanoparticles leads to the decrease of the Gibbs free energy change for H2 desorption of LiBH4 based on the formation of Ni2B down to −0.95 eV while this value reaches 1.19 eV for bulk LiBH4, validating the effective role of Ni in thermodynamically destabilizing H2 desorption. Impressively, the average B–H bond length of LiBH4 on Ni2B reaches 1.291 Å and thus the corresponding dissociation energy of removing one H atom from LiBH4 is lowered to 1.00 eV, much lower than bulk LiBH4 (4.22 eV) and even LiBH4 on Ni (1.27 eV), which verifies superior role of Ni2B than Ni in catalytically enhancing H2 desorption. Therefore, a capacity of 8.86 wt.% is obtained for LiBH4 confined into Ni/C at 320 °C after 10 cycles.

Photoilluminated Redox-Processed Rh2P Nanoparticles on Photocathodes for Stable Hydrogen Production in Acidic Environments.

While photoelectrochemical (PEC) cells show promise for solar-driven green hydrogen production, exploration of various light-absorbing multilayer coatings has yet to significantly enhance their hydrogen generation efficiency. Acidic conditions can enhance the hydrogen evolution reaction (HER) kinetics and reduce overpotential losses. However, prolonged acidic exposure deactivates noble metal electrocatalysts, hindering their long-term stability. Progress requires addressing catalyst degradation to enable stable, efficient, and acidic PEC cells. Here, we proposed a process design based on the photoilluminated redox deposition (PRoD) approach. We use this to grow crystalline Rh2P nanoparticles (NPs) with a size of 5-10 on 30 nm-thick TiO2, without annealing. Atomically precise reaction control was performed by using several cyclic voltammetry cycles coincident with light irradiation to create a system with optimal catalytic activity. The optimized photocathode, composed of Rh2P/TiO2/Al-ZnO/Cu2O/Sb-Cu2O/ITO, achieved an excellent photocurrent density of 8.2 mA cm-2 at 0 VRHE and a durable water-splitting reaction in a strong acidic solution. Specifically, the Rh2P-loaded photocathode exhibited a 5.3-fold enhancement in mass activity compared to that utilizing just a Rh catalyst. Furthermore, in situ scanning transmission electron microscopy (STEM) was performed to observe the real-time growth process of Rh2P NPs in a liquid cell.

Stream water sourcing from high-elevation snowpack inferred from stable isotopes of water: a novel application of d-excess values

Abstract. About 80 % of the precipitation at the Colorado River's headwaters is snow, and the resulting snowmelt-driven hydrograph is a crucial water source for about 40 million people. Snowmelt from alpine and subalpine snowpack contributes substantially to groundwater recharge and river flow. However, the dynamics of snowmelt progression are not well understood because observations of the high-elevation snowpack are difficult due to challenging access in complex mountainous terrain as well as the cost and labor intensity of currently available methods. We present a novel approach to infer the processes and dynamics of high-elevation snowmelt contributions predicated upon stable hydrogen and oxygen isotope ratios observed in streamflow. We show that deuterium-excess (d-excess) values of stream water could serve as a comparatively cost-effective proxy for a catchment-integrated signal of high-elevation snowmelt contributions to catchment runoff. We sampled stable hydrogen and oxygen isotope ratios of the precipitation, snowpack, and stream water in the East River, a headwater catchment of the Colorado River, and the stream water of larger catchments at sites on the Gunnison River and Colorado River. The d-excess of snowpack increased with elevation; the upper subalpine and alpine snowpack (> 3200 m) had substantially higher d-excess compared to lower elevations (< 3200 m) in the study area. The d-excess values of stream water reflected this because d-excess values increased as the higher-elevation snowpack contributed more to stream water generation later in the snowmelt/runoff season. End-member mixing analyses based on the d-excess data showed that the share of high-elevation snowmelt contributions within the snowmelt hydrograph was on average 44 % and generally increased during melt period progression, up to 70 %. The observed pattern was consistent during 6 years for the East River, and a similar relation was found for the larger catchments on the Gunnison and Colorado rivers. High-elevation snowpack contributions were found to be higher for years with lower snowpack and warmer spring temperatures. Thus, we conclude that the d-excess of stream water is a viable proxy to observe changes in high-elevation snowmelt contributions in catchments at various scales. Inter-catchment comparisons and temporal trends of the d-excess of stream water could therefore serve as a catchment-integrated measure to monitor if mountain systems rely on high-elevation water inputs more during snow drought compared to years of average snowpack depths.

Specific Organic Loading Rate Control for Improving Fermentative Hydrogen Production

Inhibiting homoacetogens is one of the main challenges in fermentative hydrogen production because these hydrogen consumers have similar growth features to hydrogen producers. Homoacetogens have been related to the excessive accumulation of biomass in fermentative reactors. Therefore, a suitable food/microorganism ratio has the potential to minimize the homoacetogenic activity. In this work, the specific organic loading rate (SOLR) was controlled in two fermentative fixed-bed up-flow reactors through scheduled biomass discharges. Reactors were differentiated by the bed arrangement, namely, packed and structured conformation. The SOLR decay along the time in both reactors was previously simulated according to the literature data. The volume and volatile suspended solids (VSS) concentration of discharges was estimated from the first discharge, and then additional discharges were planned. Biomass discharges removed 21% of the total biomass produced in the reactors, maintaining SOLR values of 3.0 ± 0.4 and 3.9 ± 0.5 g sucrose g−1 VSS d−1 in the packed-bed and structured-bed reactors, respectively. Such a control of the SOLR enabled continuous and stable hydrogen production at 2.2 ± 0.2 L H2 L−1 d−1 in the packed-bed reactor and 1.0 ± 0.3 L H2 L−1 d−1 in the structured-bed one. Controlling biomass was demonstrated to be a suitable strategy for keeping the continuous hydrogen production, although the fermentative activity was impaired in the structured-bed reactor. The homoacetogenic was partially inhibited, accounting for no more than 30% of the total acetic acid produced in the reactor. Overall, the high amount of attached biomass in the packed-bed reactor provided more robustness to the system, offsetting the periodic suspended biomass losses via the planned discharges. Better characterizing both the VSS composition (aiming to differentiate cells from polymeric substances) and the bed hydrodynamics could be useful to optimize the online SOLR control.

How hydrophobicity, side chains, and salt affect the dimensions of disordered proteins.

Despite the generally accepted role of the hydrophobic effect as the driving force for folding, many intrinsically disordered proteins (IDPs), including those with hydrophobic content typical of foldable proteins, behave nearly as self-avoiding random walks (SARWs) under physiological conditions. Here, we tested how temperature and ionic conditions influence the dimensions of the N-terminal domain of pertactin (PNt), an IDP with an amino acid composition typical of folded proteins. While PNt contracts somewhat with temperature, it nevertheless remains expanded over 10-58°C, with a Flory exponent, ν, >0.50. Both low and high ionic strength also produce contraction in PNt, but this contraction is mitigated by reducing charge segregation. With 46% glycine and low hydrophobicity, the reduced form of snow flea anti-freeze protein (red-sfAFP) is unaffected by temperature and ionic strength and persists as a near-SARW, ν ~ 0.54, arguing that the thermal contraction of PNt is due to stronger interactions between hydrophobic side chains. Additionally, red-sfAFP is a proxy for the polypeptide backbone, which has been thought to collapse in water. Increasing the glycine segregation in red-sfAFP had minimal effect on ν. Water remained a good solvent even with 21 consecutive glycine residues (ν > 0.5), and red-sfAFP variants lacked stable backbone hydrogen bonds according to hydrogen exchange. Similarly, changing glycine segregation has little impact on ν in other glycine-rich proteins. These findings underscore the generality that many disordered states can be expanded and unstructured, and that the hydrophobic effect alone is insufficient to drive significant chain collapse for typical protein sequences.

Enhancing Efficiency and Stability in Carbon-Based Perovskite Solar Cells by Double Passivation with Ultralow-Cost Coal-Derived Graphene and Its Derivatives.

Coal-derived carbon nanomaterials possess numerous superior features compared to other classic carbon, such as readily accessible surfaces, tunable pore structure, and facile and precise surface functionalization. Therefore, the controllable preparation of coal-derived carbon nanomaterials is anticipated to be of great significance for the performance improvement and commercialization process of carbon-based perovskite solar cells (C-PSCs). In this study, we successfully synthesized highly stable and commercially valuable graphene oxide (GO) and reduced graphene oxide (rGO) utilizing coal. Compared to traditional methods and commercial graphene, the chemical oxidation and pyrolysis process used in this study is mild and simple, offering the advantages of controlled composition and the absence of other impurities. GO or rGO was incorporated into the top of the SnO2 electron transport layer (ETL) of C-PSCs. Under optimized conditions and ultraviolet-ozone (UVO) irradiation, the ultimate power conversion efficiency (PCE) increased from the unmodified 12.4 to 14.04% (based on rGO) and 15.18% (based on GO), representing improvements of 22 and 31%, respectively. The improved photovoltaic performance is mainly owing to enhanced charge transport capabilities, denser interfacial contacts, improved carrier separation properties, increased conductivity, and abundance of hydrophilic functional groups in GO, which can form more stable hydrogen bonds with SnO2. After being stored at room temperature and ambient humidity for 30 days, the modified, unpacked devices retained 87% of the highest power conversion efficiency (PCE). This study introduces a practical and manageable method to enhance the performance of C-PSCs by using functional carbon nanomaterials derived from coal.

Identification and molecular mechanisms of novel antioxidant peptides from fermented broad bean paste: A combined in silico and in vitro study

This study aimed to investigate the antioxidative and cytoprotective activity of antioxidant peptides from fermented broad bean paste (FBBP) and explore their potential molecular mechanisms using a combined in silico and in vitro approach. Seven novel antioxidant peptides (VSRRFIYYL, SPAIPLP, PVPPPGG, KKDGYWWAKFK, LAWY, LGFMQF, and LPGCP) identified by integrated approaches of peptidomics and in silico bioinformatic analysis were synthesized, exhibiting strong antioxidant potential against in vitro radicals. Molecular docking results suggested that these peptides could form stable hydrogen bonds and solvent-accessible surface with key amino acid residues of Keap1, thus potentially regulating the Keap1-Nrf2 pathway by occupying the Nrf2-binding site on Keap1. Additionally, they exhibited strong cellular antioxidant activity and could protect HepG2 cells from AAPH-induced oxidative injury by reducing reactive oxygen species and MDA accumulation. This study firstly unraveled the molecular mechanisms of antioxidant peptides from FBBP, and provided a new theoretical basis for the high-value utilization of FBBP.