Search Results (410)

This study evaluates the risk assessment and hazard identification of hydrothermal liquefaction (HTL)-derived bio-oil from the MARINES project, which converts military organic waste into fuel. The high oxygen content (35–50 wt%), acidic pH (2–4), and viscosity (10–1000 cP) of bio-oils pose unique challenges, including oxidative polymerization, corrosion, and micro-explosions during combustion. Key hazards include storage instability, particulate emissions (20–30% higher than diesel), and aquatic toxicity (LC50 < 10 mg/L for phenolics). Mitigation strategies such as inert gas blanketing, preheating, and spill containment are proposed. While offering renewable fuel potential, HTL bio-oil demands rigorous safety protocols for military/industrial deployment, warranting further experimental validation. Full article

Fasciola gigantica (F. gigantica) is a vital parasite that causes fasciolosis. Liver fluke infections affect livestock animals, and the Fasciola species (Fasciola spp.) vaccine has been tested for many types of these diseases. Currently, computer-based vaccine design represents an attractive alternative for constructing vaccines. Thus, this study aimed to design the epitopes of linear B-cells (BCL) and helper T lymphocytes (HTL) using an immunoinformatic approach and to investigate in silico and the mice’s immune response. A non-conserved host region, overlapping F. gigantica cathepsin B proteins (FgCatB), and the highest conserved residue percentages were the criteria used to construct epitopes. The GPGPG linker was used to link epitopes in the multi-epitope Fasciola gigantica cathepsin B (MeFgCatB) peptide. The MeFgCatB peptide has high antigenicity, non-allergenicity, non-toxicity, good solubility, and a high-quality structure. The molecular docking between the MeFgCatB peptide and Toll-like receptor 2 (TLR-2) was evaluated. The IgM, IgG1, and IgG2 levels were elevated in silico. In mice, the MeFgCatB peptide was synthesized and administered as an injection. The MeFgCatB-specific IgG1 and IgG2a levels were elevated after week 2, showing a predominance of IgG1. The rFgCatB1, rFgCatB2, and rFgCatB3 were detected using the MeFgCatB peptide-immunized sera. The MeFgCatB peptide-immunized sera were detected at approximately 28–34 kDa in the whole body. In addition, the MeFgCatB immunized sera can positively signal at the caecal epithelium in the NEJ, 4WKJ, and adult stages. In summary, the MeFgCatB peptide is able to induce mixed Th1/Th2 immune responses with Th2 dominating and to detect the native protein of F. gigantica. The MeFgCatB peptide should help against F. gigantica in future experiments. Full article

This study examines the significance of thermodynamic model selection to improve predictions when modeling a wet oxidation (WO) process. WO is a promising technology for treating the highly concentrated process water stream from hydrothermal liquefaction (HTL) while generating heat, due to the exothermic oxidation reactions, leading to a potential integrated HTL-WO autothermal process. However, the harsh process conditions employed fail to describe oxygen solubility accurately, leading to major deviations in predicted COD reduction, heat generation, vapor fraction, and final design. To accurately capture oxygen solubility at elevated temperatures and pressures, experimental oxygen solubility data were regressed using activity coefficient models. This yielded improved oxygen solubility predictions at 280–350 °C, more realistic vapor fractions and heat outputs, and COD reduction close to experimental values. Full article

Hydrothermal liquefaction (HTL) is a thermochemical conversion process that converts wet biomass into biocrude oil, a gas phase, a solid phase, and an aqueous phase (HTL-AP). An obstacle to the development and scaling of HTL is the volume of HTL-AP produced during the process, which has high concentrations of nitrogen and carbon and cannot be disposed of in the environment without treatment. The HTL-AP is enriched with organic compounds, particularly light polar organics and nitrogenous compounds, which are inhibitory to microbial treatment in wastewater treatment plants. For this reason, the valorization of the HTL-AP is significant for the circular economy of HTL. This review synthesizes published findings on different types of treatment of the HTL-AP for the recovery of valuable nutrients and the removal of toxic compounds. This work outlines the trade-offs of the treatments to serve as a guide for future research to address these weaknesses and improve the valorization of the HTL-AP. Furthermore, this work uniquely focuses on HTL-AP treatment for recovering plant-available nitrogen, targeting its potential use as a fertilizer. The literature highlights the importance of increasing nitrogen bioavailability in HTL-AP through two-step treatments and by selecting HTL-AP derived from protein-rich feedstocks, which offer higher initial nitrogen content. According to the current state of research, further work is needed to optimize chemical and biological treatments for nutrient recovery from HTL-AP, particularly regarding treatment scale and duration. Additionally, economic analyses across different treatment types are currently lacking, but are essential to evaluate their feasibility and practicality. Full article

Background/Objectives: Head and neck squamous cell carcinoma (HNSCC) is the seventh most common cancer, with limited responsiveness to immune checkpoint inhibitors (ICIs). Cancer vaccine therapy is a promising novel immunotherapeutic approach that stimulates tumor-specific T cells. Receptor tyrosine kinase-like orphan receptor 1 (ROR1), which is overexpressed in malignant tumors but minimally expressed in normal tissues, presents a promising target for immunotherapy. This study aimed to evaluate ROR1 as a target for helper T lymphocyte (HTL)-based peptide vaccine immunotherapy in HNSCC. Methods: ROR1 expression in HNSCC tissues was assessed by immunohistochemistry. A novel ROR1-derived epitope (ROR1_403–417) was identified and used to generate ROR1-reactive HTLs. Functional assays measuring IFN-γ and granzyme B secretion, as well as direct cytotoxicity, were performed. The effects of ICIs on HTL activity were also examined. The presence of ROR1-reactive T cells in the peripheral blood of patients with HNSCC was evaluated. Results: ROR1 positivity rates in HNSCC tissues were significantly higher (80.0%) than those in healthy controls (16.7%), and high ROR1 expression correlated with advanced clinical stages. HTL lines recognized the ROR1_403–417 peptide in a human leukocyte antigen (HLA)-DR-restricted manner, secreted effector cytokines, and exhibited direct cytotoxicity against ROR1+ tumor cells. Dual PD-L1/PD-L2 blockade further enhanced HTL responses. ROR1-reactive T cells were detected in the peripheral blood of patients with HNSCC. Conclusions: ROR1 represents a promising target for immunotherapy in HNSCC. The ROR1_403–417 peptide can elicit ROR1-reactive HTLs that exhibit antitumor responses against HNSCC cell lines, which can be enhanced by ICIs. These findings support the potential of ROR1-targeted peptide vaccine therapy for HNSCC. Full article

Flexible perovskite solar cells (FPSCs) hold great promise for lightweight and wearable photovoltaics, but improving their efficiency and durability under mechanical stress remains a key challenge. In this work, we fabricate and characterize flexible planar FPSCs on a polyethylene terephthalate (PET). A phenethylammonium iodide (PEAI) surface passivation layer is introduced on the perovskite to form a two-dimensional capping layer, and its impact on device performance and stability is systematically studied. The champion PEAI-passivated flexible device achieves a power conversion efficiency (PCE) of ~16–17%, compared to ~14% for the control device without PEAI. The improvement is primarily due to an increased open-circuit voltage and fill factor, reflecting effective surface defect passivation and improved charge carrier dynamics. Importantly, mechanical bending tests demonstrate robust flexibility: the PEAI-passivated cells retain ~85–90% of their initial efficiency after 700 bending cycles (radius ~5 mm), significantly higher than the ~70% retention of unpassivated cells. This work showcases that integrating a PEAI surface treatment with optimized electron (SnO₂) and hole (spiro-OMeTAD) transport layers (ETL and HTL) can simultaneously enhance the efficiency and mechanical durability of FPSCs. These findings pave the way for more reliable and high-performance flexible solar cells for wearable and portable energy applications. Full article

This work explored an electrochemical approach for synthesizing lanthanum-modified nickel oxide (NiO_x:La) as a hole transport layer (HTL) in inverted perovskite solar cells (IPSCs). By varying the La³⁺ concentration, the chemical, charge transport, structural, and morphological properties of the NiO_x:La film and the HTL/PVK interface were evaluated to enhance photovoltaic performance. X-ray photoelectron spectroscopy (XPS) confirmed La³⁺ incorporation, a higher Ni³⁺/Ni³⁺ ratio, and a valence band shift, improving p-type conductivity. Electrochemical impedance spectroscopy and Mott–Schottky analyses indicated that NiO_x:La 0.5% exhibited the lowest resistance and the highest carrier density, correlating with higher recombination resistance. The NiO_x:La 0.5% based cell achieved a PCE of 20.08%. XRD and SEM confirmed no significant changes in PVK structure, while photoluminescence extinction demonstrated improved charge extraction. After 50 days, this cell retained 80% of its initial PCE, whereas a pristine NiO_x device retained 75%. Hyperspectral imaging revealed lower optical absorption loss and better homogeneity. These results highlight NiO_x:La as a promising HTL for efficient and stable IPSCs. Full article

This study presents the first comprehensive theoretical investigation utilizing SCAPS-1D simulation to systematically evaluate eight hole transport materials for CsPbI₂Br perovskite solar cells under authentic indoor LED conditions (560 lux, 5700 K color temperature). Unlike previous studies employing simplified illumination assumptions, our work establishes fundamental design principles for indoor photovoltaics through rigorous material property correlations. The investigation explores the influence of layer thickness and defect concentration on performance to identify optimal parameters. Through detailed energy band alignment analysis, we demonstrate that CuI achieves superior performance (PCE: 23.66%) over materials with significantly higher mobility, revealing that optimal band alignment supersedes carrier mobility under low-light conditions. Analysis of HTL and absorber layer thickness, bulk defect concentration, interface defect density, and an HTL-free scenario showed that interface defect concentration and absorber layer parameters have greater influence than HTL thickness. Remarkably, ultra-thin HTL layers (0.04 μm) maintain >99% efficiency, offering substantial cost reduction potential for large-scale manufacturing. Under optimized conditions of a 0.87 μm absorber layer thickness, defect concentration of 10¹⁵ cm⁻³, interface defect concentration of 10⁹ cm⁻³, and CuI doping concentration of 10¹⁷ cm⁻³, PCE reached 28.57%, while the HTL-free structure achieved 17.6%. This study establishes new theoretical foundations for indoor photovoltaics, demonstrating that material selection criteria differ fundamentally from outdoor applications. Full article

The growing demand for reliable micropower sources in extreme environments has accelerated the development of betavoltaic cells (BV cells) with high energy conversion efficiency and superior radiation resistance. This study demonstrates an advanced BV cell architecture utilizing three-dimensional TiO₂ nanorod arrays (TNRAs) integrated with a NiO_x hole transport layer (HTL). Monte Carlo simulations were employed to optimize the cell design and determine the fabrication parameters for growing TNRAs on FTO substrates via hydrothermal synthesis. The performance evaluation employed both electron beam (2.36 × 10⁹ e/cm²·s) and ⁶³Ni (3.4 mCi/cm²) irradiation methods. The simulation results revealed optimal energy deposition characteristics, with ~96% of β-particle energy effectively absorbed within the 2 μm thick FTO/TNRA/NiO_x/Au structure. The NiO_x-incorporated device achieved an energy conversion efficiency of 4.84%, with a short-circuit current of 119.9 nA, an open-circuit voltage of 324.2 mV, and a maximum power output of 24.0 nW, representing a 3.76-fold enhancement over HTL-free devices. Radioactive source testing confirmed stable power generation and linear efficiency scaling, validating electron beam irradiation as an effective accelerated testing methodology for BV cell research. Full article

Porcine reproductive and respiratory syndrome virus (PRRSV) is a major viral threat to swine, causing significant economic loss in the global pig farming industry. This virus includes two major genotypes, PRRSV1 and PRRSV2, both characterized by high mutation rates and genetic variability, complicating the development of a universally effective vaccine and disease control. To address this challenge, this study utilizes immunoinformatics tools to identify conserved epitopes and design a multi-epitope vaccine candidate against PRRSV based on reverse vaccinology. The complete sequences of PRRSV-encoded proteins were retrieved worldwide, and the conserved fragments were identified through the alignment of polypeptide sequences. Subsequent screening was conducted to screen epitopes for their potential to be safe and to activate B cells, HTLs (helper T cells), and CTLs (cytotoxic T cells). By conjugating the selected epitopes with distinct adjuvant proteins, three vaccine candidates were designed and termed PRRSV-vaccine (PRRSV-V-1, PRRSV-V-2, and PRRSV-V-3, respectively). Furthermore, systematic evaluations of their physicochemical properties, structural stability, binding with pattern recognition receptors, and induction of the host immune system were performed. PRRSV-V-2 had the most promising physicochemical and structural characteristics, strong binding with toll-like receptors (TLR3 and TLR8), and the most vigorous reactions to host immune responses. As the most promising candidate, the recombinant PRRSV plasmid was in silico designed for expression in Escherichia coli. Our study proposed a novel approach to PRRSV vaccine development against PRRSV, offering a promising strategy for controlling the infection across diverse PRRSV strains in swine. Despite providing significant insights into vaccine design through computational methods, the results of this study remain predictive. So, it is open for the experimental validations of the scientific community to ensure its actual immunological properties, especially the safety and efficacy. Full article

Background: hMPXV poses a major public health risk due to its human-to-human transmissibility, severe complications, especially in immunocompromised individuals, and global spread, necessitating effective surveillance and stringent prophylactic measures to mitigate its colossal impact. Objective: The study aimed to annotate hMPXV(IMV) proteins to propose a potential reverse vaccinology-based vaccine against hMPXV. Methods: The target MPXV(IMV) protein’s sequences, formatted in FASTA, were sourced from genome/proteome databases (BV-BRC and UniProt) (accessed on 6 November 2024), followed by CD-Hit-based redundancy removal. Epitope prediction for B-cells (lymphocytes), cytotoxic T-cells or cytotoxic T-lymphocytes (CTLs), and helper T-cells (HTLs) was executed using ABCpred, IEDB’s ANNs 4.0, and an artificial neural network-based alignment tool (NN-align 2.3)/ML-based tool (NetMHCII 2.3). Various immunoinformatics filters (antigenicity, toxicity, and allergenicity) were applied to substantiate the potency and safety of the formulated vaccine candidate. The constructed vaccine’s physiochemical and structural features (secondary and tertiary), with structural stability (confirmed by molecular docking followed by dynamic simulation with TLRs (TLR4 & TLR2) and MHCs), were determined. Additionally, cloning (using pET-28a(+) vector) was conducted to verify the vaccine’s expression potential and translation efficiency. The construct’s population coverage was also ascertained. Results: The MPXV-2-Beta vaccine constructs, of the six initially designed constructs, was identified as the most promising candidate, signifying nonallergenic profile and nontoxic features, with a predicted antigenicity score (PAS) = 0.7202, 407 residues, a molecular weight of 43,102.1 Da, pI of 9.2, and favorable stability parameters (AI: 65.65, GRAVY: −0.597, I-i: 25.92). It showed high solubility (score: 0.942). The ProSA Z-score of −9.38 confirmed the structural stability, reliability, and precision of the MPXV-2-Beta 3D model, which is comparable to experimental structures. Furthermore, 98.8% of all the residues nested within favored or allowed regions in a critical Ramachandran plot signified the model’s exceptional structural integrity and quality. Docking and dynamic simulation of MPXV-2-Beta with TLRs (TLR4 & TLR2) and MHCs demonstrated stiffer docking stability (strong polar and nonpolar interaction) and negative eigenvalue value (during dynamic simulation), suggesting its ability to enhance immune receptor activation under physiological conditions. MPXV-2-Beta was predicted to trigger a robust immune response (IR) with comprehensive world population coverage (98.55%, SD = 10.41). Conclusions: Based on the evaluated parameters, the MPXV-2-Beta designed in this study exhibited significant potential as an effective candidate against hMPXV. This study establishes a foundation for developing an efficient vaccine against hMPXV, requiring further experimental and clinical validation to confirm computational findings. Full article

The pulp and paper industry is one of the leading waste-generating industries globally. With the rich energy content of these wastes and many of these mills not paying attention/implementing efficient waste disposal methods, it has become imperative that research efforts on pulp and paper waste valorization be performed; hence this paper. Hydrothermal liquefaction (HTL) technology was adopted due to its ability to transform wet biomass into biocrude. The research studied the effects of reaction parameters such as temperature, residence time, feed concentration, and catalysts on the yield of biocrude. While central composite design (CCD) was used in the design of the experiments, response surface methodology (RSM) was utilized for their optimization. The optimum parametric conditions obtained were the following: temperature: 340 °C; residence time: 56min; and feed concentration: 5%. Zeolite (HZSM-5), gamma-alumina (γ-Al₂O₃), and activated carbon were utilized as catalysts, and their performances with respect to biocrude yield improvement were evaluated. The order of catalytic effect on the biocrude yield was γ-Al₂O₃ (25.65%) > HZSM-5 (23.18%) > activated carbon (21.94%). Catalyst characterization was performed on the fresh and spent catalysts to study their properties and to make informed inferences on their impacts on biocrude yield. Based on the findings from this research, necessary conclusions and recommendations for future work are presented. Full article

The hole-transport layer (HTL) plays a pivotal role in engineering high-performance inverted perovskite solar cells (PSCs), as it governs both hole extraction/transport dynamics and critically impacts the crystallization quality of the perovskite absorber layer in device architectures. Recent advancements have highlighted self-assembled monolayers (SAMs) as promising candidates for next-generation HTL materials in inverted PSCs due to their intrinsic advantages over conventional counterparts. These molecularly engineered interfaces demonstrate superior characteristics including simplified purification processes, tunable molecular structures, and enhanced interfacial compatibility with device substrates. This review systematically examines the progress, existing challenges, and future prospects of SAM-based HTLs in inverted photovoltaic systems, aiming to establish a systematic framework for understanding their structure–property relationships. The review is organized into three sections: (1) fundamental architecture of inverted PSCs, (2) molecular design principles of SAMs with emphasis on head-group functionality, and (3) recent breakthroughs in SAM-engineered HTLs and their modification strategies for HTL optimization. Through critical analysis of performance benchmarks and interfacial engineering approaches, we elucidate both the technological merits and inherent limitations of SAM implementation in photovoltaic devices. Furthermore, we propose strategic directions for advancing SAM-based HTL development, focusing on molecular customization and interfacial engineering to achieve device efficiency and stability targets. This comprehensive work aims to establish a knowledge platform for accelerating the rational design of SAM-modified interfaces in next-generation optoelectronic devices. Full article

This paper discusses the thermal and exergy efficiency analysis of the hydrothermal liquefaction (HTL) process, which converts sewage sludge into biocrude oil in a continuous plug–flow reactor using a linear Fresnel solar collector. The investigation focuses on the influence of key operational parameters, including slurry flow rate, temperature, pressure, residence time, and the external heat transfer coefficient, on the overall efficiency of biocrude oil production. A detailed thermodynamic evaluation was conducted using process simulation principles and a kinetic model to assess mass and energy balances within the HTL reaction, considering heat and mass momentum exchange in a multiphase system using UDF. The reactor’s receiver, a copper absorber tube, has a total length of 20 m and is designed in a coiled configuration from the base to enhance heat absorption efficiency. To optimize the thermal performance of biomass conversion in the HTL process, a Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) coupling numerical method approach was employed to investigate improved thermal performance by obtaining a heat source solely through solar energy. This numerical modeling approach allows for an in-depth assessment of heat transfer mechanisms and fluid-particle interactions, ensuring efficient energy utilization and sustainable process development. The findings contribute to advancing solar-driven HTL technologies by maximizing thermal efficiency and minimizing external energy requirements. Full article

The complex nature of the hydrothermal liquefaction (HTL) of lignin product downstream requires an effective separation strategy. In this study, the use of adsorption separation was undertaken using deep eutectic solvent (DES)-modified amberlite XAD-4 adsorbents to achieve this goal. XAD-4 was modified with a choline chloride: ethylene glycol DES and characterized using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and the Brunauer–Emmett–Teller (BET) test. In addition, the HTL product was characterized using Gas Chromatography with Flame Ionization Detection (GC-FID). The performance of unmodified and DES-modified adsorbents was initially tested on the model compounds of guaiacol, phenol and catechol, followed by the HTL product in a batch adsorption system. The Freundlich model best described the model compound adsorption system with a preferential affinity for guaiacol (k_f = 12.52), outperforming phenol and catechol. Adsorption experiments showed an increase in capacity and selectivity for all species when the DES-modified adsorbents were used at all mass loadings. GC-FID analytics showed the DES-modified XAD-4 (300 mg) as having the highest selectivity for guaiacol, with an equilibrium concentration of 121.45 mg/L representing an 85.25% uptake, while catechol was the least favorably adsorbed. These results demonstrate the potential of DES-functionalized XAD-4 adsorbents in selectively isolating high-value aromatics from the HTL of the lignin product stream. Full article