bluuebunny/crossref_metadata_2025 huggingface dataset:
The Role of Human Papilloma Virus (HPV) in Primary Lung Cancer Development: State of the Art and Future Perspectives
Authors: Nachira Dania , Congedo Maria Teresa , D’Argento Ettore , Meacci Elisa , Evangelista Jessica , Sassorossi Carolina , Calabrese Giuseppe , Nocera Adriana , Kuzmych Khrystyna , Santangelo Rosaria , Rindi Guido , Margaritora Stefano
Published: January 2024

Non-small cell lung cancer (NSCLC) is the leading cause of cancer-related mortality worldwide. Notably, the incidence of lung cancer among never-smokers, predominantly women, has been rising in recent years. Among the various implicated risk factors, human papilloma virus (HPV) may play a role in the development of NSCLC in a certain subset of patients. The prevalence of high-risk HPV-DNA within human neoplastic lung cells varies across the world; however, the carcinogenetic role of HPV in NSCLC has not been completely understood. Bloodstream could be one of the routes of transmission from infected sites to the lungs, along with oral (through unprotected oral sex) and airborne transmission. Previous studies reported an elevated risk of NSCLC in patients with prior HPV-related tumors, such as cervical, laryngeal, or oropharyngeal cancer, with better prognosis for HPV-positive lung cancers compared to negative forms. On the other hand, 16% of NSCLC patients present circulating HPV-DNA in peripheral blood along with miRNAs expression. Typically, these patients have a poorly differentiated NSCLC, often diagnosed at an advanced stage. However, HPV-positive lung cancers seem to have a better response to target therapies (EGFR) and immune checkpoint inhibitors and show an increased sensitivity to platinum-based treatments. This review summarizes the current evidence regarding the role of HPV in NSCLC development, especially among patients with a history of HPV-related cancers. It also examines the diagnostic and prognostic significance of HPV, investigating new future perspectives to enhance cancer screening, diagnostic protocols, and the development of more targeted therapies tailored to specific cohorts of NSCLC patients with confirmed HPV infection.
Autovaccine-Based Immunotherapy: A Promising Approach for Male Recurrent Urinary Tract Infections
Authors: Ciudin Alexandru , Padulles Bernat , Popescu Razvan , Manasia Pasqualino
Published: January 2024

Background: Recurrent Urinary Tract Infections (UTIs) in men range from 0.9 to 2.4/1000 individuals in younger men to 7.7/1000 in those over 85, significantly impacting their quality of life. Preventive strategies include autovaccines, but limited evidence exists for males. Methods: A prospective monocentric, open-label observational study was conducted from August 2018 to August 2021, with follow-up until August 2023 including patients with recurrent UTIs treated with immunotherapy. We evaluated the incidence rate of UTIs per year, the incidence rate of episodes after two or three rounds of the autovaccine, and quality of life measured with the IPSS-QoL questionnaire. Results: A total of 49 patients fulfilled inclusion criteria. The mean age was 72 years (±15), and the median 61. The evolution of UTIs number of episodes after the autovaccine rounds: −37.74% for the first round from 5.3 to 3.3; −33.33% for the second round from 3.3 to 2.2; −45.45% for the third round from 2.2 to 1.2. The mean IPSS score improved from 10.69 to 7.27 after the treatment (32%). The mean QoL subscore enhancement was from 4.22 to 1.92 (54%). With a mean follow-up of 3 years, only nine patients required retreatment. Conclusion: Autovaccine treatment significantly reduced the number of UTI episodes, with a cumulative effect observed after multiple rounds of treatment, demonstrating an enhancement in QoL and with sustained effectiveness and a low need for retreatment.
Effect of a Substrate’s Preheating Temperature on the Microstructure and Properties of Ni-Based Alloy Coatings
Authors: Liu Yu , Jin Haiquan , Xu Tianhao , Xu Zhiqiang , Du Fengming , Yu Miao , Gao Yali , Zhang Dongdong
Published: January 2024

Laser cladding is a new technology to fabricate a coating on the surface of a metal substrate. The properties on copper substrates are usually not very good due to the high thermal conductivity and reflectivity. The appropriate preheating temperature is helpful to fabricate coatings with good quality and properties, especially for copper substrates. In order to investigate the effect of different preheating temperatures, four coatings with different preheating temperatures (100, 200, 300 and 400 °C) were fabricated via a laser on a copper substrate. The microstructures and properties of four coatings were investigated using SEM, XRD, EDS, a Vickers microhardness meter, a wear tester and an electrochemical workstation. The results show that the elements from Ni-based alloy powder were uniformly distributed among the binding region, which obtained a good metallurgical bonding. The microstructure was mainly composited of cellular, dendrite and plane crystals, and the main reinforced phases were γ (Fe, Ni), Cr0.09Fe0.7Ni0.21, WC and Ni3B. The values of average microhardness of the four coatings were 614.3, 941.6, 668.1 and 663.1 HV0.5, respectively. The wear rates of the four coatings were 9.7, 4.9, 12.5 and 13.3 × 10−5 mm3·N−1·m−1, respectively, which were less than that of the copper substrate (4.3 × 10−3 mm3·N−1·m−1). The decrease in wear rate was due to the existence of the reinforced phases, such as WC, Ni3B, M7C3 (M=Fe, Cr) and Cr0.09Fe0.7Ni0.21. The fine crystals in the coating preheated at 200 °C also improved the wear resistance. Additionally, the minimum values of corrosion current density were 3.26 × 10−5, 2.34 × 10−7, 4.02 × 10−6 and 4.21 × 10−6 mA·mm−2, respectively. It can be seen that the coating preheated at 200 °C had higher microhardness, lower wear rates and better corrosion resistance due to the existence of reinforced phases and fine and uniform crystals.
A Study on the Microstructure and Mechanical Properties of Portland Cement Incorporating Aluminosilicate Waste
Authors: Antonovič Valentin , Sikarskas Donatas , Boris Renata , Kudžma Andrius , Malaiškienė Jurgita , Stonys Rimvydas
Published: January 2024

The influence of aluminosilicate pozzolanic waste, specifically spent fluid catalytic cracking waste (FCCW) and metakaolin waste (MK) from the expanded glass industry, on the properties of hardened Portland cement paste were analysed. The study involved replacing part of cement with FCCW and MK and observing their impact on the hydration, microstructure, density, and compressive strength of hardened cement paste. Various analysis methods were employed, including X-ray diffraction (XRD), thermogravimetric analysis (TG), and scanning electron microscopy (SEM), to understand the changes in the structure of the hardened cement paste during hydration. The findings revealed that FCCW tends to accelerate the cement hydration process due to its high surface area and pozzolanic activity. Notably, the formation of portlandite crystals was observed on FCCW particle surfaces in a specific direction. These crystals appeared smaller and developed in different directions in compositions containing a composite binder with mixture of FCCW and MK in a ratio 1:1. This could be influenced by pozzolanic reactions activated by fine particles of MK and the formation of calcium silicate hydrates (C-S-H) and calcium alumino silicate hydrates (C-A-S-H) in the presence of portlandite. The XRD and TG results indicated that the specimens containing a composite binder exhibited the least amount of portlandite. The compressive strength of these specimens increased compared to the control specimens, although the amount of cement was 9% lower.
Stepwise Identification Method of Thermal Load for Box Structure Based on Deep Learning
Authors: Du Hongze , Xu Qi , Jiang Lizhe , Bu Yufeng , Li Wenbo , Yan Jun
Published: January 2024

Accurate and rapid thermal load identification based on limited measurement points is crucial for spacecraft on-orbit monitoring. This study proposes a stepwise identification method based on deep learning for identifying structural thermal loads that efficiently map the local responses and overall thermal load of a box structure. To determine the location and magnitude of the thermal load accurately, the proposed method segments a structure into several subregions and applies a cascade of deep learning models to gradually reduce the solution domain. The generalization ability of the model is significantly enhanced by the inclusion of boundary conditions in the deep learning models. In this study, a large simulated dataset was generated by varying the load application position and intensity for each sample. The input variables encompass a small set of structural displacements, while the outputs include parameters related to the thermal load, such as the position and magnitude of the load. Ablation experiments are conducted to validate the effectiveness of this approach. The results show that this method reduces the identification error of the thermal load parameters by more than 45% compared with a single deep learning network. The proposed method holds promise for optimizing the design and analysis of spacecraft structures, contributing to improved performance and reliability in future space missions.
The Effect of Nb Doping on the Properties of Ti-Al Intermetallic Compounds Using First-Principles Calculations
Authors: Wang Kun , Xiang Hongping , Xu Lin , Feng Aihan , Qu Shoujiang , Wang Hao , Chen Daolun
Published: January 2024

The crystal structures, stability, mechanical properties and electronic structures of Nb-free and Nb-doped Ti-Al intermetallic compounds were investigated via first-principles calculations. Seven components and eleven crystal configurations were considered based on the phase diagram. The calculated results demonstrate that hP8-Ti3Al, tP4-TiAl, tP32-Ti3Al5, tI24-TiAl2, tI16-Ti5Al11, tI24-Ti2Al5, and tI32-TiAl3 are the most stable phases. Mechanical properties were estimated with the calculated elastic constants, as well as the bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and Pugh’s ratio following the Voigt–Reuss–Hill scheme. As the Al content increases, the mechanical strength increases but the ductility decreases in the Ti-Al compounds. This results from the enhanced covalent bond formed by the continuously enhanced Al-sp hybrid orbitals and Ti-3d orbitals. Nb doping (~5 at.% in this study) keeps the thermodynamical and mechanical stability for the Ti-Al compounds, which exhibit slightly higher bulk modulus and better ductility. This is attributed to the fact that the Nb 4d orbitals locate near the Fermi level and interact with the Ti-3d and Al-3p orbitals, improving the metallic bonds based on the electronic structures.
Structural Characteristics and Cementitious Behavior of Magnesium Slag in Comparison with Granulated Blast Furnace Slag
Authors: Lu Ping , Zhao Yueqi , Zhang Na , Wang Yidi , Zhang Jiale , Zhang Yihe , Liu Xiaoming
Published: January 2024

Magnesium slag is a type of industrial solid waste produced during the production of magnesium metal. In order to gain a deeper understanding of the structure of magnesium slag, the composition and microstructure of magnesium slag were investigated by using characterization methods such as X-ray fluorescence, particle size analysis, X-ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy. In addition, the state of Si occurrence in magnesium slag was analyzed using a solid-state nuclear magnetic resonance technique in comparison with granulated blast furnace slag. An inductively coupled plasma-optical emission spectrometer and scanning electron microscope with energy dispersive X-ray spectroscopy were used to characterize their cementitious behavior. The results show that the chemical composition of magnesium slag mainly includes 54.71% CaO, 28.66% SiO2 and 11.82% MgO, and the content of Al2O3 is much lower than that of granulated blast furnace slag. Compared to granulated blast furnace slag, magnesium slag has a larger relative bridging oxygen number and higher [SiO4] polymerization degree. The cementitious activity of magnesium slag is lower compared to that of granulated blast furnace slag, but it can replace part of the cement to obtain higher compressive strength. Maximum compressive strength can be obtained when the amount of magnesium slag replacing cement is 20%, where the 28-day compressive strength can be up to 45.48 MPa. This work provides a relatively comprehensive analysis of the structural characteristics and cementitious behavior of magnesium slag, which is conducive to the promotion of magnesium slag utilization.
Heat Capacity of Indium or Gallium Sesqui-Chalcogenides
Authors: Růžička Květoslav , Pokorný Václav , Plutnar Jan , Plutnarová Iva , Wu Bing , Sofer Zdeněk , Sedmidubský David
Published: January 2024

The chalcogenides of p-block elements constitute a significant category of materials with substantial potential for advancing the field of electronic and optoelectronic devices. This is attributed to their exceptional characteristics, including elevated carrier mobility and the ability to fine-tune band gaps through solid solution formation. These compounds exhibit diverse structures, encompassing both three-dimensional and two-dimensional configurations, the latter exemplified by the compound In2Se3. Sesqui-chalcogenides were synthesized through the direct reaction of highly pure elements within a quartz ampoule. Their single-phase composition was confirmed using X-ray diffraction, and the morphology and chemical composition were characterized using scanning electron microscopy. The compositions of all six materials were also confirmed using X-ray photoelectron spectroscopy and Raman spectroscopy. This investigation delves into the thermodynamic properties of indium and gallium sesqui-chalcogenides. It involves low-temperature heat capacity measurements to evaluate standard entropies and Tian–Calvet calorimetry to elucidate the temperature dependence of heat capacity beyond the reference temperature of 298.15 K, as well as the enthalpy of formation assessed from DFT calculations.
Very Large Pore Mesoporous Bioactive Silicate Glasses: Comparison of Behavior toward Classical Mesoporous Bioactive Glasses in Terms of Drug Loading/Release and Bioactivity
Authors: Carrozza Debora , Ferrari Erika , Malavasi Gianluca
Published: January 2024

Considering the increase in patients who suffer from osteoporosis and the bone defects that occur in these patients, bone tissue regeneration is a promising option to solve this problem. To achieve a synergistic effect between the synthesis of a proper structure and bioactive/pharmaceutical activity, ions with a physiological effect can be added to silica structures, such as Ca2+, thanks to its bioactive behavior, and Ga3+ for its antibacterial and anticancer action. In this work, the synthesis of large pore mesoporous silica (LPMS), potential bioactive glasses containing Ca2+ and Ga3+, has been studied. Corresponding structures, in terms of composition, have been synthesized following the Sol-Gel EISA (Evaporation Induced Self-Assembly) process (obtaining Classical Mesoporous Silica, MS). Pore structure characterization of LPMSs and MSs has been performed using N2 adsorption/desorption and Hg-porosimetry, showing the presence of pores for LPMSs in the range of 20–60 and 200–600 nm. Nisin, a polycyclic antibacterial peptide, has been used for load tests. The load and release tests performed highlight a higher loading and releasing, doubled for LPMSs if compared to MSs. To confirm the maintenance of the structure of LPMSs and their mechanical strength and resistance, scanning electron microscopy images were acquired before and after release tests. Ca and Ga release in SBF has been studied through inductively coupled plasma—optical emission spectroscopy (ICP-OES), showing a particularly high release of these ions performed with LPMSs. The bioactive behavior of Ca-containing structures has been confirmed using FT-IR (Fourier-transform infrared spectroscopy), SEM-EDS (Scanning Electron Microscope-Energy Dispersive Spectroscopy), and X-ray powder diffraction (XRDP). In conclusion, LPMSs showed better loading and releasing properties compared with classical MS and better release in terms of active ions. In addition, it has also been demonstrated that LPMSs have bioactive behavior (a well-known characteristic of MSs).
Improved PVTOL Test Bench for the Study of Over-Actuated Tilt-Rotor Propulsion Systems
Authors: Amezquita-Brooks Luis , Maciel-Martínez Eber , Hernandez-Alcantara Diana
Published: January 2024

In recent years, applications exploiting the advantages of tilt-rotors and other vectored thrust propulsion systems have become widespread, particularly in many novel Vertical Takeoff and Landing (VTOL) configurations. These propulsion systems can provide additional control authority, enabling more complex flight modes, but the resulting control systems can be challenging to design due to the mismatch between the vehicle degrees of freedom and physical input variables. These propulsion systems present both advantages and difficulties because they can exert the same overall forces and moments in many different propulsive configurations. This leads to the traditional non-uniqueness problem when using the inverse dynamics control allocation approach, which is the basis of many popular VTOL control algorithms. In this article, a modified Planar VTOL (PVTOL) test bench configuration, which considers an arbitrary number of co-linear tilting rotors, is introduced as a benchmark for the study of the control allocation problem. The resulting propulsion system is then modeled and linearized in a closed and compact form. This allows a simple and systematic derivation of many of the currently used control allocation approaches. According to the proposed PVTOL configuration, a two-rotor test bench is implemented experimentally and a decoupling control allocation strategy based on Singular Value Decomposition (SVD) analysis is developed. The proposed approach is compared with a traditional input mixer algorithm based on physical intuition. The results show that the SVD-based solution achieves better cross-coupling reduction and preserves the main properties of the physically derived approach. Finally, it is shown that the proposed PVTOL configuration is effective for studying the control allocation problem experimentally in a controlled environment and could serve as a benchmark for comparing different approaches.
Geometric Attitude Fault-Tolerant Control of Quadrotor Unmanned Aerial Vehicles with Adaptive Extended State Observers
Authors: Wang Liping , Pei Hailong , Cheng Zihuan
Published: January 2024

This paper is concerned with the attitude tracking problem of quadrotor unmanned aerial vehicles (UAVs) with respect to endogenous uncertainties, exogenous disturbances and actuator failures. Two different control methods are proposed to solve this problem. First, an adaptive extended state observer (AESO)-based control framework is devised to tackle the difficulties caused by model uncertainties and external disturbances. A fault-tolerant control method is proposed to cope with the occurrence of actuator failure, which is modeled as a constant loss of effectiveness. Another method employs AESOs to compensate for lumped disturbances, which include endogenous uncertainties, exogenous disturbances and actuator failures. Then, the error can exponentially converge to a bounded set. Finally, simulations are performed to ensure the feasibility of the designed technique.
Lifts of a Semi-Symmetric Metric Connection from Sasakian Statistical Manifolds to Tangent Bundle
Authors: Kumar Rajesh , Shenawy Sameh , Turki Nasser Bin , Colney Lalnunenga , De Uday Chand
Published: January 2024

The lifts of Sasakian statistical manifolds associated with a semi-symmetric metric connection in the tangent bundle are characterized in the current research. The relationship between the complete lifts of a statistical manifold with semi-symmetric metric connections and Sasakian statistical manifolds with a semi-symmetric metric connection in the tangent bundle is investigated. We also discuss the classification of Sasakian statistical manifolds with respect to semi-symmetric metric connections in the tangent bundle. Finally, we derive an example of the lifts of Sasakian statistical manifolds to the tangent bundle.
Identifying the Risk Factors for Orbital Complications in Isolated Sphenoid Rhinosinusitis
Authors: Chang Shiaw-Yu , Huang Chi-Che , Fan Yu-Hsi , Wu Pei-Wen , Lee Ta-Jen , Chang Po-Hung , Huang Chien-Chia
Published: January 2024

Background and Objectives: Isolated sphenoid rhinosinusitis may have devastating consequences such as orbital complications due to its anatomical contiguity with vital structures. This study aimed to identify patients with isolated sphenoid inflammatory diseases at high risk for developing orbital complications and requiring aggressive management through investigation of the clinical and computed tomography (CT) characteristics of patients with isolated sphenoid rhinosinusitis. Materials and Methods: The medical records of patients who underwent endoscopic sinus surgery between 2005 and 2022 were retrospectively reviewed. Patients with isolated sphenoid rhinosinusitis were identified based on a manual review of the clinical and histopathological findings. Participants’ clinical and CT features were reviewed. Results: Among the 118 patients with isolated sphenoid rhinosinusitis, 15 (12.7%) developed orbital complications, including diplopia, extraocular motility limitation, ptosis, and visual impairment. Headaches and facial pain occurred significantly more frequently in patients with orbital complications than in those without orbital complications (p < 0.001). Patients with diabetes mellitus or malignant neoplasms were more likely to develop orbital complications than those without these comorbidities (p < 0.05). Bony dehiscence on CT images was significantly more common in patients with orbital complications than in those without. In the regression analysis, diabetes mellitus (OR, 4.62), malignant neoplasm (OR, 4.32), and bony dehiscence (OR, 4.87) were significant predictors of orbital complications (p < 0.05). Conclusions: Headaches and facial pain are the most common symptoms of isolated sphenoid rhinosinusitis. Orbital complications of isolated sphenoid rhinosinusitis are more common in patients with comorbidities such as diabetes mellitus or malignancy or in those with bony dehiscence on CT images.
Study on Physical Mechanisms of Thickness Effect of Incremental Hole-Drilling Method Based on Energy Analysis
Authors: Zhang Keming , Cao Yu , Xi Shangbin
Published: January 2024

Incremental hole drilling is a commonly employed semi-destructive method for measuring internal residual stresses. It involves calculating internal residual stresses through the measurement of strains. The conversion of strain to stress is achieved through calibration coefficients, the accuracy of which directly influences the precision of residual stress measurements. These calibration coefficients are predominantly determined through finite element simulations, which must consider the sample’s characteristics and realistic experimental conditions. While there has been extensive research on the influence of sample thickness, the impact of thickness under different experimental conditions remains unexplored, and the underlying physical mechanisms driving thickness effects remain ambiguous. This paper addresses this gap by employing finite element simulations to investigate the impact of thickness on calibration coefficients under three commonly utilized experimental conditions. Moreover, this research endeavors to elucidate the physical mechanisms that contribute to variations in these coefficients through energy analysis.
The Urinary Metabolome of Newborns with Perinatal Complications
Authors: López-Hernández Yamilé , Lima-Rogel Victoria , Mandal Rupasri , Zheng Jiamin , Zhang Lun , Oler Eponine , García-López David , Torres-Calzada Claudia , Mejía-Elizondo Ana , Poelzer Jenna , López Jesús , Zubkowski Ashley , Wishart David
Published: January 2024

Maternal pathological conditions such as infections and chronic diseases, along with unexpected events during labor, can lead to life-threatening perinatal outcomes. These outcomes can have irreversible consequences throughout an individual’s entire life. Urinary metabolomics can provide valuable insights into early physiological adaptations in healthy newborns, as well as metabolic disturbances in premature infants or infants with birth complications. In the present study, we measured 180 metabolites and metabolite ratios in the urine of 13 healthy (hospital-discharged) and 38 critically ill newborns (admitted to the neonatal intensive care unit (NICU)). We used an in-house-developed targeted tandem mass spectrometry (MS/MS)-based metabolomic assay (TMIC Mega) combining liquid chromatography (LC-MS/MS) and flow injection analysis (FIA-MS/MS) to quantitatively analyze up to 26 classes of compounds. Average urinary concentrations (and ranges) for 167 different metabolites from 38 critically ill NICU newborns during their first 24 h of life were determined. Similar sets of urinary values were determined for the 13 healthy newborns. These reference data have been uploaded to the Human Metabolome Database. Urinary concentrations and ranges of 37 metabolites are reported for the first time for newborns. Significant differences were found in the urinary levels of 44 metabolites between healthy newborns and those admitted at the NICU. Metabolites such as acylcarnitines, amino acids and derivatives, biogenic amines, sugars, and organic acids are dysregulated in newborns with bronchopulmonary dysplasia (BPD), asphyxia, or newborns exposed to SARS-CoV-2 during the intrauterine period. Urine can serve as a valuable source of information for understanding metabolic alterations associated with life-threatening perinatal outcomes.
Obesity, Dietary Fats, and Gastrointestinal Cancer Risk-Potential Mechanisms Relating to Lipid Metabolism and Inflammation
Authors: Mitchelson Kathleen A. J. , O’Connell Fiona , O’Sullivan Jacintha , Roche Helen M.
Published: January 2024

Obesity is a major driving factor in the incidence, progression, and poor treatment response in gastrointestinal cancers. Herein, we conducted a comprehensive analysis of the impact of obesity and its resulting metabolic perturbations across four gastrointestinal cancer types, namely, oesophageal, gastric, liver, and colorectal cancer. Importantly, not all obese phenotypes are equal. Obese adipose tissue heterogeneity depends on the location, structure, cellular profile (including resident immune cell populations), and dietary fatty acid intake. We discuss whether adipose heterogeneity impacts the tumorigenic environment. Dietary fat quality, in particular saturated fatty acids, promotes a hypertrophic, pro-inflammatory adipose profile, in contrast to monounsaturated fatty acids, resulting in a hyperplastic, less inflammatory adipose phenotype. The purpose of this review is to examine the impact of obesity, including dietary fat quality, on adipose tissue biology and oncogenesis, specifically focusing on lipid metabolism and inflammatory mechanisms. This is achieved with a particular focus on gastrointestinal cancers as exemplar models of obesity-associated cancers.
Genetic Circuits for Feedback Control of Gamma-Aminobutyric Acid Biosynthesis in Probiotic Escherichia coli Nissle 1917
Authors: Lebovich Matthew , Lora Marcos A. , Gracia-David Jared , Andrews Lauren B.
Published: January 2024

Engineered microorganisms such as the probiotic strain Escherichia coli Nissle 1917 (EcN) offer a strategy to sense and modulate the concentration of metabolites or therapeutics in the gastrointestinal tract. Here, we present an approach to regulate the production of the depression-associated metabolite gamma-aminobutyric acid (GABA) in EcN using genetic circuits that implement negative feedback. We engineered EcN to produce GABA by overexpressing glutamate decarboxylase and applied an intracellular GABA biosensor to identify growth conditions that improve GABA biosynthesis. We next employed characterized genetically encoded NOT gates to construct genetic circuits with layered feedback to control the rate of GABA biosynthesis and the concentration of GABA produced. Looking ahead, this approach may be utilized to design feedback control of microbial metabolite biosynthesis to achieve designable smart microbes that act as living therapeutics.
The Trade-Off between Enteric and Manure Methane Emissions and Their Bacterial Ecology in Lactating Cows Fed Diets Varying in Forage-to-Concentrate Ratio and Rapeseed Oil
Authors: Darabighane Babak , Tapio Ilma , Rasi Saija , Seppänen Ari-Matti , Blasco Lucia , Ahvenjärvi Seppo , Bayat Ali R.
Published: January 2024

An experiment was conducted to examine how dietary interventions reducing enteric methane (CH4) emissions influence manure CH4 emissions in biogas production (as biochemical methane potential (BMP)) or under static conditions mimicking natural manure storage conditions. Experimental treatments consisted of a factorial arrangement of high (HF: 0.65) or low (LF: 0.35) levels of forage and 0 or 50 g of rapeseed oil per kg of diet dry matter. Oil supplementation reduced daily enteric CH4 emissions, especially in the HF diet, by 20%. Greater dietary concentrate proportion reduced CH4 yield and intensity (6 and 12%, respectively) and decreased pH, increased total volatile fatty acids, and molar proportions of butyrate and valerate in feces incubated under static conditions. Oil supplementation increased daily BMP and BMP calculated per unit of organic matter (OM) (17 and 15%, respectively). Increased dietary concentrate had no impact on daily BMP and BMP per unit of OM, whereas it reduced daily CH4 production by 89% and CH4 per unit of OM by 91% under static conditions. Dietary oil supplementation tended to decrease fecal CH4 production per unit of digestible OM (23%) under static conditions. Diets had no impact on the alpha diversity of ruminal prokaryotes. After incubation, the fecal prokaryote community was significantly less diverse. Diets had no effect on alpha diversity in the BMP experiment, but static trial fecal samples originating from the HF diet showed significantly lower diversity compared with the LF diet. Overall, the tested dietary interventions reduced enteric CH4 emissions and reduced or tended to reduce manure CH4 emissions under static conditions, indicating a lack of trade-off between enteric and manure CH4 emissions. The potential for increasing CH4 yields in biogas industries due to dietary interventions could lead to a sustainable synergy between farms and industry.
Influence of Active-to-Passive Ratio on the Deformation in Circular Dielectric Elastomer Actuators
Authors: Koenigsdorff Markus , Liebscher Hans , Osipov Petr , Mersch Johannes , Gerlach Gerald
Published: January 2024

To further improve the performance of dielectric elastomer actuaotrs (DEAs), the development of novel elastomers with enhanced electro-mechanical properties is focal for the advancement of the technology. Hence, reliable techniques to assess their electro-mechanical performance are necessary. Characterization of the actuator materials is often achieved by fabricating circular DEAs with the pre-stretch of the membrane fixed by a stiff frame. Because of this set-up, the electrode size relative to the carrier frame’s dimension has an impact on actuator strain and displacement. To allow for comparable results across different studies, the influence of this effect needs to be quantified and taken into account. This paper presents an in-depth study of the active-to-passive ratio by proposing two simplified analytical models for circular DEA and comparing them. The first model is taking the hyperelastic material properties of the dielectric film into account while the second model is a linear elastic lumped parameter model based on the electro-mechanical analogy. Both models lie in good agreement and show a significant linear impact of the radial active-to-passive ratio on the electro-active strain and a resulting maximum of displacement around 50% radial coverage ratio. These findings are validated by experiments with actuators fabricated using silicone membranes. It is shown that the electrode size is not only an important parameter in the experimental design, but in some cases of higher significance for the accuracy of analytical models than the hyperelastic properties of the material. Furthermore, it could be shown that a radial coverage ratio of around 50% is desirable when measuring displacement as it maximizes the displacement and lowers the impact of deviations in electrode sizes due to fabrication errors.
Polyethylene Terephthalate Hydrolases in Human Gut Microbiota and Their Implications for Human Health
Authors: Zhou Heqi , Shi Songbiao , You Qiuhong , Zhang Kaikai , Chen Yuchuan , Zheng Dekai , Sun Jian
Published: January 2024

Polyethylene terephthalate (PET), primarily utilized for food and beverage packaging, consistently finds its way into the human gut, thereby exerting adverse effects on human health. PET hydrolases, critical for the degradation of PET, have been predominantly sourced from environmental microbial communities. Given the fact that the human gut harbors a vast and intricate consortium of microorganisms, inquiry into the presence of potential PET hydrolases within the human gut microbiota becomes imperative. In this investigation, we meticulously screened 22,156 homologous sequences that could potentially encode PET hydrolases using the hidden Markov model (HMM) paradigm, drawing from 4984 cultivated genomes of healthy human gut bacteria. Subsequently, we methodically validated the hydrolytic efficacy of five selected candidate PET hydrolases on both PET films and powders composed of micro-plastics (MPs). Notably, our study also unveiled the influence of both diverse PET MP powders and their resultant hydrolysates on the modulation of cytokine expression in macrophages. In summary, our research underscores the ubiquitous prevalence and considerable potential of the human gut microbiota in PET hydrolysis. Furthermore, our study significantly contributes to the holistic evaluation of the potential health hazards posed by PET MPs to human well-being.
Fluid Evolution of Greisens from Krupka Sn-W Ore District, Bohemian Massif (Czech Republic)
Authors: Krejčí Kotlánová Michaela , Dolníček Zdeněk , René Miloš , Prochaska Walter , Ulmanová Jana , Kapusta Jaroslav , Mašek Vlastimil , Kropáč Kamil
Published: January 2024

The Sn-W ore deposits in the Krupka surroundings are associated with greisens, which occur in the upper parts of Late Variscan granitoid intrusions. Fluid inclusions were studied in samples of quartz, cassiterite, apatite, fluorite, and topaz in greisenized granites, greisens, and hydrothermal veins with Sn-W mineralization. The greisenization process took place at temperatures 370–490 °C and pressures 155–371 bars, and associated fluids had predominantly low salinity and a low gas (CO2, N2 and CH4) content. The post-greisenization stage was connected with the formation of (i) low-salinity (0–8 wt. % NaCl eq.) fluid inclusions with homogenization temperatures <120–295 °C and (ii) high-salinity (18 to >35 wt. % NaCl eq.) fluid inclusions with homogenization temperatures 140–370 °C, often containing trapped crystals of quartz, topaz, and sulfides, or daughter crystals of salts and carbonates, which were identified by microthermometric measurements, electron microprobe analysis, and Raman spectroscopy. Analyses of fluid inclusion leachates have shown that Na and Ca chlorides predominate in fluids. According to hydrogen stable isotopes, the source of greisenizing and post-greisenizing fluids was not only magmatogenic but also meteoric water or fluids derived from sedimentary rocks.
Understanding Interface Exchanges for Assessing Environmental Sorption of Additives from Microplastics: Current Knowledge and Perspectives
Authors: da Costa João Pinto , Avellan Astrid , Tubić Aleksandra , Duarte Armando C. , Rocha-Santos Teresa
Published: January 2024

Although the impacts of plastic pollution have long been recognized, the presence, pervasiveness, and ecotoxicological consequences of microplastic—i.e., plastic particles < 5 mm—contamination have only been explored over the last decade. Far less focus has been attributed to the role of these materials and, particularly, microplastics, as vectors for a multitude of chemicals, including those (un)intentionally added to plastic products, but also organic pollutants already present in the environment. Owing to the ubiquitous presence of microplastics in all environmental matrices and to the diverse nature of their chemical and physical characteristics, thoroughly understanding the mechanistic uptake/release of these compounds is inherently complex, but necessary in order to better assess the potential impacts of both microplastics and associated chemicals on the environment. Herein, we delve into the known processes and factors affecting these mechanisms. We center the discussion on microplastics and discuss some of the most prominent ecological implications of the sorption of this multitude of chemicals. Moreover, the key limitations of the currently available literature are described and a prospective outlook for the future research on the topic is presented.
Developing and Evaluating the Greenness of a Reliable, All-in-One Thin-Film Microextraction Protocol for Determining Fentanyl, Methadone, and Zolpidem in Plasma, Urine, and Oral Fluid
Authors: Goryński Krzysztof , Sobczak Łukasz , Kołodziej Dominika
Published: January 2024

This paper proposes an all-in-one microextraction-based protocol capable of determining and quantifying fentanyl, methadone, and zolpidem in plasma, urine, and saliva at concentrations below those required by international regulatory organizations. A homemade thin-film microextraction device featuring an octyl–cyanopropyl stationary phase was coupled with LC-MS/MS. The proposed method was developed and validated according to FDA criteria, providing extraction efficiency values ranging from 26.7% to 76.2% with no significant matrix effects (2.6% to 15.5% signal suppression). The developed protocol provided low limits of quantification (mostly equal to 1 ng mL−1) and good reproducibility (intra- and inter-day RSDs of less than 9.6% and 12.0%, respectively) and accuracy (89% to 104% of the test concentration). An assessment of the protocol’s environmental impact indicated that attention must be devoted to eliminating the use of toxic reagents and developing its capability for in situ sampling and in-field analysis using portable instruments. The proposed TFME-based protocol provides clinical laboratories with a versatile, one-step tool that enables the simultaneous monitoring of fentanyl, methadone, and zolpidem using the most popular biological matrices.
The Synergy between Nuclear Magnetic Resonance and Density Functional Theory Calculations
Authors: Hansen Poul Erik
Published: January 2024

This paper deals with the synergy between Nuclear Magnetic Resonance (NMR) spectroscopic investigations and DFT calculations, mainly of NMR parameters. Both the liquid and the solid states are discussed here. This text is a mix of published results supplemented with new findings. This paper deals with examples in which useful results could not have been obtained without combining NMR measurements and DFT calculations. Examples of such cases are tautomeric systems in which NMR data are calculated for the tautomers; hydrogen-bonded systems in which better XH bond lengths can be determined; cage compounds for which assignment cannot be made based on NMR data alone; revison of already published structures; ionic compounds for which reference data are not available; assignment of solid-state spectra and crystal forms; and the creation of libraries for biological molecules. In addition to these literature cases, a revision of a cage structure and substituent effects on pyrroles is also discussed.
Novel Dihydrocoumarins Induced by Radiolysis as Potent Tyrosinase Inhibitors
Authors: Jeong Gyeong Han , Yadav Manisha , Lee Seung Sik , Chung Byung Yeoup , Cho Jae-Hyeon , Lee In-Chul , Bai Hyoung-Woo , Kim Tae Hoon
Published: January 2024

A representative naturally occurring coumarin, 4-methylumbelliferone (5), was exposed to 50 kGy of gamma ray, resulting in four newly generated dihydrocoumarin products 1–4 induced by the gamma irradiation. The structures of these new products were elucidated by interpretation of spectroscopic data (NMR, MS, [α]D, and UV). The unusual bisdihydrocoumarin 4 exhibited improved tyrosinase inhibitory capacity toward mushroom tyrosinase with IC50 values of 19.8 ± 0.5 μM as compared to the original 4-methylumbelliferone (5). A kinetic analysis also exhibited that the potent metabolite 4 had non-competitive modes of action. Linkage of the hydroxymethyl group in the C-3 and C-4 positions on the lactone ring probably enhances the tyrosinase inhibitory effect of 4-methylumbelliferone (5). Thus, the novel coumarin analog 4 is an interesting new class of tyrosinase inhibitory candidates that requires further examination.
Mode of Antibacterial Action of Tomatidine C3-Diastereoisomers
Authors: Langlois Jean-Philippe , Larose Audrey , Brouillette Eric , Delbrouck Julien A. , Boudreault Pierre-Luc , Malouin François
Published: January 2024

Tomatidine (TO) is a natural narrow-spectrum antibiotic acting on the Staphylococcus aureus small colony variant (SCV) with a minimal inhibitory concentration (MIC) of 0.06 µg/mL while it shows no activity against prototypical strains (MIC > 128 µg/mL). To expand the spectrum of activity of TO, the 3β-hydroxyl group was substituted with an ethane-1,2-diamine, resulting in two diastereoisomers, TM-02 (C3-β) and TM-03 (C3-α). These molecules are equally potent against prototypical S. aureus and E. coli strains (MIC 8 and 32 µg/mL, respectively), whereas TM-02 is more potent against SCV (MIC 0.5 µg/mL) and hyperpermeable E. coli strains (MIC 1 µg/mL). The differences in their modes of action were investigated. We used membrane vesicles to confirm the inhibition of the bacterial ATP synthase, the documented target of TO, and measured effects on bacterial cell membranes. Both molecules inhibited E. coli ATP synthase, with Ki values of 1.1 µM and 3.5 µM for TM-02 and TM-03, respectively, and the bactericidal effect of TM-02 was linked to ATP synthase inhibition. Furthermore, TM-02 had no major effect on the membrane fluidity and gradually reduced membrane potential. In contrast, TM-03 caused structural damages to membranes and completely disrupted the membrane potential (>90%). We were successful in broadening the spectrum of activity of TO. C3-β-diastereoisomers may have more specific antibacterial action than C3-α.
Extraction, Chemical Composition and Insecticidal Activities of Lantana camara Linn. Leaf Essential Oils against Tribolium castaneum, Lasioderma serricorne and Callosobruchus chinensis
Authors: Aisha Kolapparamban , Visakh Naduvilthara U. , Pathrose Berin , Mori Nicola , Baeshen Rowida S. , Shawer Rady
Published: January 2024

Storage pests and the food spoilage they cause are problems of great concern. Using essential oil obtained from different plants as an insecticide against these storage pests can be considered an environmentally friendly pest management option. Lantana camara Linn. (family Verbenaceae) is a flowering species, and is also a noxious weed that can proliferate well in nearly all geographical habitats. A biopesticide derived from the essential oil extracted from this plant can offer an effective solution for controlling storage pests. The goal of this study is to extract and analyse the chemical composition of essential oil obtained from L. camara leaves, and assess its effectiveness as a bioactive substance against three storage pests: Tribolium castaneum, Lasioderma serricorne, and Callosobruchus chinensis. The yield of essential oil extracted from L. camara leaves was about 0.24 ± 0.014%. By employing the GC-MS technique, the major phytochemicals contained in L. camara leaf essential oil were identified as caryophyllene (69.96%), isoledene (12%), and ɑ-copaene (4.11%). The essential oil exhibited excellent fumigant toxicity (LC50 of 16.70 mg/L air for T. castaneum, 4.141 mg/L air for L. serricorne and 6.245 mg/L air for C. chinensis at 24 h), contact toxicity (LC50 of 8.93 mg/cm2 for T. castaneum, 4.82 mg/cm2 for L. serricorne and 6.24 mg/cm2 for C. chinensis after 24 h) along with effective repellent activity towards the test insects. In addition, the oil showed no significant phytotoxicity on the germination of paddy seeds. This presents the potential to utilize a weed in developing a biopesticide for effectively managing stored product insects because of its strong bioactivity.
Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity
Authors: Bortolamiol Enrica , Botter Eleonora , Cavarzerani Enrico , Mauceri Matteo , Demitri Nicola , Rizzolio Flavio , Visentin Fabiano , Scattolin Thomas
Published: January 2024

A new class of palladium–indenyl complexes characterized by the presence of one bulky alkyl isocyanide and one aryl phosphine serving as ancillary ligands has been prepared, presenting high yields and selectivity. All the new products were completely characterized using spectroscopic and spectrometric techniques (NMR, FT-IR, and HRMS), and, for most of them, it was also possible to define their solid-state structures via X-ray diffractometry, revealing that the indenyl fragment always binds to the metal centre with a hapticity intermediate between ƞ3 and ƞ5. A reactivity study carried out using piperidine as a nucleophilic agent proved that the indenyl moiety is the eligible site of attack rather than the isocyanide ligand or the metal centre. All complexes were tested as potential anticancer agents against three ovarian cancer cell lines (A2780, A2780cis, and OVCAR-5) and one breast cancer cell line (MDA-MB-231), displaying comparable activity with respect to cisplatin, which was used as a positive control. Moreover, the similar cytotoxicity observed towards A2780 and A2780cis cells (cisplatin-sensitive and cisplatin-resistant, respectively) suggests that our palladium derivatives presumably act with a mechanism of action different than that of the clinically approved platinum drugs. For comparison, we also synthesized Pd-ƞ3-allyl derivatives, which generally showed a slightly higher activity towards ovarian cancer cells and lower activity towards breast cancer cells with respect to their Pd-indenyl congeners.
Aromatase Inhibitors as a Promising Direction for the Search for New Anticancer Drugs
Authors: Janowska Sara , Holota Serhii , Lesyk Roman , Wujec Monika
Published: January 2024

Aromatase is an enzyme that plays a crucial role in the biosynthesis of estrogens, which are hormones that contribute to the growth of certain types of breast cancer. In particular, aromatase catalyzes the conversion of androgens (male hormones) into estrogens (female hormones) in various tissues, including the adrenal glands, ovaries, and adipose tissue. Given the role of estrogen in promoting the growth of hormone-receptor-positive breast cancers, aromatase has become an important molecular target for the development of anticancer agents. Aromatase inhibitors can be classified into two main groups based on their chemical structure: steroidal and non-steroidal inhibitors. This work presents a review of the literature from the last ten years regarding the search for new aromatase inhibitors. We present the directions of search, taking into account the impact of structure modifications on anticancer activity.