bluuebunny/crossref_metadata_2025_split huggingface dataset:
A review on the upstream production and downstream purification of mannosylerythritol lipids
Authors: Valkenburg André D. , Ncube Mellisa Z. , Teke George M. , van Rensburg Eugéne , Pott Robert W. M. 
Published: December 2023

AbstractBiosurfactants are natural compounds with remarkable surface‐active properties that may offer an eco‐friendly alternative to conventional surfactants. Among them, mannosylerythritol lipids (MELs) stand out as an intriguing example of a glycolipid biosurfactant. MELs have been used in a variety of sectors for various applications, and are currently commercially produced. Industrially, they are used in the pharmaceutical, cosmetic, food, and agricultural industries, based on their ability to reduce surface tension and enhance emulsification. However, despite their utility, their production is comparatively limited industrially. From a bioprocessing standpoint, two areas of interest to improve the production process are upstream production and downstream (separation and purification) product recovery. The former has seen a significant amount of research, with researchers investigating several production factors: the microbial species or strain employed, the producing media composition, and the production strategy implemented. Improvement and optimization of these are key to scale‐up the production of MELs. On the other hand, the latter has seen comparatively limited work presented in the literature. For the most part traditional separation techniques have been employed. This systematic review presents the production and purification methodologies used by researchers by comprehensively analyzing the current state‐of‐the‐art with regards the production, separation, and purification of MELs. By doing so, the review presents different possible approaches, and highlights some potential areas for future work by identifying opportunities for the commercialization of MELs.
Rational design of transaminases based on comparative analysis of catalytically active and distance‐free modes of the high‐energy intermediate state
Authors: Yi Xiaomin , Yu Hongwei , Ye Lidan 
Published: December 2023

AbstractBioproduction of chiral amines is limited by low transaminase (TA) activity on nonnatural substrates, leading to the need for protein engineering. To address the challenge of quickly and precisely identifying the engineering targets, a strategy was proposed based on analyzing the mode changes in the high‐energy intermediate state (H‐state) of the substrate–enzyme complex during catalysis. By substituting the residues with minimal structural changes in catalytically active mode (A‐mode) and distance‐free mode (F‐mode) of the H‐state complex with more conserved ones to stabilize it, a TA mutant M5(T295C/L387A/V436A) with 121.9‐fold higher activity for synthesizing the (S)‐Rivastigmine precursor (S)‐1‐(3‐methoxyphenyl)ethylamine was created. The applicability of this strategy was also validated by engineering another TA for 1.52‐fold higher activity and >99% selectivity toward (R)‐3‐amino‐1‐butanol biopreparation. The much higher stereoselectivity of the mutant compared with the wild type (28.3%) demonstrated that this strategy is not only advantageous in engineering enzyme activity but also applicable for modulating stereoselectivity.
Urticaria pigmentosa and systemic mastocytosis
Authors: Keow Jonathan , Chin‐Yee Benjamin , Hsia Cyrus C. , Robertson Kara 
Published: December 2023

Key Clinical MessageAdditional investigations for systemic involvement should be initiated once the diagnosis of cutaneous mastocytosis has been established in an adult patient. A serum tryptase can serve as a screening test for systemic mastocytosis, and persistent elevations should prompt further investigations, such as bone marrow studies.AbstractUrticaria pigmentosa (UP) is the most common form of cutaneous mastocytosis, presenting as a wide variety of macroscopic appearances. Cutaneous mastocytosis in pediatric patients usually does not present with systemic involvement, but more than half of adult patients with cutaneous mastocytosis demonstrate systemic involvement. Currently, there is no guidance surrounding systemic testing in patients with UP. A 50‐year‐old Caucasian male was referred to the Clinical Immunology and Allergy clinic with a history of a rash. He initially presented to hospital 12 years prior with group A beta hemolytic streptococcus bacteremia treated with multiple different antibiotics. One week following discharge, he developed erythematous brown spots on his right leg which were flat, non‐pruritic, and not painful. The rash later expanded to his trunk and extremities. A skin biopsy performed 2 years prior to referral to our clinic demonstrated urticaria pigmentosa. The CD117 immunohistochemical stain showed increased perivascular and interstitial mast cells in the superficial dermis. Darier's sign was negative on physical examination, and venom testing was also negative. Although he had no symptoms of systemic involvement, his serum tryptase was elevated at 47.6 ng/mL in the context of normal kidney and liver function. A skeletal survey was normal, and an abdominal ultrasound ruled out splenomegaly. Bone marrow biopsy demonstrated a mild increase in paratrabecular and perivascular atypical mast cells, in keeping with systemic mastocytosis. Adult patients with cutaneous mastocytosis have a high likelihood of having an underlying systemic mast cell disorder. Therefore, any patient presenting with characteristic skin findings should be investigated as having a cutaneous manifestation of systemic mastocytosis. This case demonstrates the utility of serum tryptase and its role in triggering additional investigations and guiding appropriate therapy.
The superiority of TiO2 hollow microspheres over nanoparticles upon integration into a coating formulation for VOC removal
Authors: Golbarg Sara , Garcia Alicia Gutierrez , Velázquez‐Palenzuela Amado , Dam‐Johansen Kim , Christensen Jakob Munkholt 
Published: December 2023

AbstractHeterogeneous photocatalysis is a promising technology for the abatement of pollutants in the air. Practical application of this technology requires the incorporation of the photocatalyst into a coating formulation. The coating can subsequently be applied on surfaces with a large geometric area, promoting various catalytic reactions. Photocatalysts, such as TiO2, appear to be most active in the form of nanoparticles. However, there is a rising concern regarding the adverse health effects of the nano‐sized particles. In this study, we investigate the photocatalytic oxidation of isopropanol, a common VOC, and demonstrate that a water‐based acrylic coating containing TiO2 micrometer‐sized hollow spheres can outperform a nanoparticle‐based coating by a factor of 10 in the rate of isopropanol removal. The porous shell structure of TiO2 hollow microspheres enables a three‐dimensional surface porosity within the coating film, thereby enhancing the access to the active catalytic surface. Our findings underscore the importance of the catalyst morphology for practical applications of photocatalytic materials when integrated into a coating formulation.
Noncatalytic Reductive Deiodination of Thyroid Hormones. Electrochemistry and Quantum Chemical Calculations
Authors: Romańczyk Piotr P. , Kurek Stefan S. 
Published: December 2023

AbstractNoncatalytic processes may occur spontaneously leading often to undesired products. Electrochemical measurements provide data for thermodynamic calculations. Cyclic voltammetry of thyroxine (T4) and 3,3’,5‐triiodothyronine (T3) in N,N‐dimethylformamide (DMF) and alkaline aqueous solutions of pH 10–14 on glassy carbon electrodes yielded the values of redox potentials for the reduction leading to deiodination of those thyroid hormones under noncatalytic conditions. The first step of T4 deiodination occurs in DMF at −1.93 V vs. Fc+/Fc and for T3 at −1.95 V, which was confirmed by quantum‐chemical calculations at DFT and DLPNO‐CCSD(T) levels. In alkaline aqueous solutions, owing to poor solubility of these compounds, it was possible to determine only approximate values equal to −1.6 to −1.7 V vs. Ag/AgCl for the first step of deiodination. The reduction potentials do not depend on pH under these conditions. As shown by calculations, further steps exhibit very close reduction potentials. The radicals formed as products of concerted dissociative electron transfer to T4 and T3 are relatively kinetically stable which leads to side reactions initiated by radicals in uncatalyzed deiodination processes.
Metal Activation Produces Different Reaction Environments for Intermediates during Oxidative Addition
Authors: Hanada Erin M. , Lou Hanyun , McShea Patrick J. , Blum Suzanne A. 
Published: December 2023

AbstractCommercial zinc metal powder requires activation for consistent and reliable use as a reductant in the formation of organozinc reagents from organohalides, and for the avoidance of supplier and batch‐to‐batch variability. However, the impact of activation methods on the reaction environments of subsequent intermediates has been unknown. Herein, a fluorescence lifetime imaging microscopy (FLIM) method is developed to bridge this knowledge gap, by imaging and examining reaction intermediates on zinc metal that has been activated by pretreatment through different common methods (i. e., by chemical activation with TMSCl, dibromoethane, or HCl; or by mechanical activation). The group of chemical activating agents, previously thought to act similarly by removing oxide layers, are here shown to produce markedly different reaction environments experienced by subsequent oxidative‐addition intermediates from organohalides – data uniquely available through FLIM's ability to detect small quantities of intermediates in situ coupled with its microenvironmental sensitivity. These different microenvironments potentially give rise to different rates of formation, subsequent solubilization, and reactivity, despite the shared “[RZnX]” molecular structure of these intermediates. This information revises models for methods development for oxidative addition to currently sluggish metals beyond zinc by establishing diverse outcomes for pretreatment activation methods that were previously considered similar.
Are “Carbon Dots” Always Carbon Dots? Evidence for Their Supramolecular Nature from Structural and Dynamic Studies in Solution and in the Pure Solid
Authors: Sousa Diogo A. , Berberan‐Santos Mário N. , Prata José V. 
Published: December 2023

AbstractInvited for the cover of this issue are José Prata and co‐workers at Instituto Superior de Engenharia de Lisboa and Instituto Superior Técnico. The image depicts a model for the supramolecular nature of carbon dots. Read the full text of the article at 10.1002/chem.202302955.
The differences between patients with nonalcoholic fatty liver disease (NAFLD) and those without NAFLD, as well as predictors of functional coronary artery ischemia in patients with NAFLD
Authors: Li Wen‐Jing , Xu Hong‐Wei 
Published: December 2023

AbstractBackgroundNonalcoholic fatty liver disease (NAFLD) is a chronic liver disease associated with metabolic syndrome. It is the most common cause of cryptogenic cirrhosis. The disease is also involved in the occurrence and development of type 2 diabetes and atherosclerosis and can directly affect the outcome of patients with coronary heart disease. Therefore, the focus of treatment of nonalcoholic fatty liver disease has also begun to focus on the treatment of risk factors for atherosclerotic heart disease. In this study, we investigated the difference between patients with coronary artery stenosis combined with NAFLD and those without NAFLD and evaluated the predictive factors and value of functional coronary artery ischemia in patients with NAFLD.HypothesisMany clinical factors (such as age, BMI, hyperglycemia) and imaging parameters (such as CACS grade) in the NAFLD group were different from those in the non‐NAFLD group. The predictive model combined with multiple influencing factors has a good value in predicting coronary artery ischemia in patients with NAFLD.MethodsWe collected the clinical and imaging data of patients who underwent coronary computed tomography angiography and coronary artery calcification score (CACS) scans between January and June 2023. A total of 392 patients were included and divided into the NAFLD group and the non‐NAFLD group. Based on CT fractional flow reserve (CT‐FFR), patients with NAFLD were divided into CT‐FFR ≤ 0.08 group and CT‐FFR > 0.08 group.ResultsSignificant differences were observed between the non‐NAFLD and NAFLD groups in terms of age, body mass index, hyperglycemia, hyperlipidemia, triglyceride, high‐density lipoprotein, coronary artery disease‐reporting and data system (CAD‐RADS) classification, CACS classification, number of diseased coronary arteries, and CT‐FFR ≤ 0.80 ratio (p < .05). The CAD‐RADS and CACS classifications can independently predict functional coronary artery ischemia in NAFLD patients. The combined use of CAD‐RADS and CACS classifications resulted in an area under the curve of 0.819 (95% confidence interval: 0.761–0.876) for predicting coronary artery ischemia in NAFLD patients, which was higher than the individual classification methods (CAD‐RADS: 0.762, CACS: 0.742) (p = .000).ConclusionsThere are differences between patients with coronary artery stenosis and NAFLD and those without NAFLD. The CAD‐RADS classification and CACS classification can economically and efficiently predict functional coronary artery ischemia in patients with NAFLD, which has crucial value in clinical diagnosis and treatment.
Abatement of Volatile Organic Compounds Employing a Thermoplastic Nano‐Photocatalyst Layered on a Glass Reactor
Authors: Vento Fabiana , Nicosia Angelo , Fiorenza Roberto , Scirè Salvatore , Pellegrino Anna Lucia , Mezzina Lidia , Raciti Giulia , Mineo Placido 
Published: December 2023

AbstractIndustrial development and urbanization have increased the emission of Volatile Organic Compounds (VOCs) into the atmosphere, causing environmental and health risks. Several approaches are used for their abatement, including chemical, thermo‐ and photo‐catalytic oxidations, but they are not fully satisfactory. In this work, a thermoplastic TiO2‐based photo‐catalyst was used as a coating layer of a glass‐reactor. Solar‐triggered photocatalytic degradation of ethanol, toluene, and acetone (used as model VOCs) highlights the better performance of the coated photoreactor than that of TiO2 nanopowder. The influence of the pollutant flow rate on the photodegradation performance of the system was also investigated, revealing an inverse relationship between degradation and flow rates. The experimental data suggest that our approach provides a cost‐effective and efficient way to boost the abatement of VOCs, useful for further industrial‐scale applications. The morphology and the compositional homogeneity of the nanocomposite coating were addressed through Field Emission Scanning Electron Microscopy coupled with Energy Dispersive X‐ray Analysis.
Evaluating the predictive performance of presence–absence models: Why can the same model appear excellent or poor?
Authors: Abrego Nerea , Ovaskainen Otso 
Published: December 2023

AbstractWhen comparing multiple models of species distribution, models yielding higher predictive performance are clearly to be favored. A more difficult question is how to decide whether even the best model is “good enough”. Here, we clarify key choices and metrics related to evaluating the predictive performance of presence–absence models. We use a hierarchical case study to evaluate how four metrics of predictive performance (AUC, Tjur's R2, max‐Kappa, and max‐TSS) relate to each other, the random and fixed effects parts of the model, the spatial scale at which predictive performance is measured, and the cross‐validation strategy chosen. We demonstrate that the very same metric can achieve different values for the very same model, even when similar cross‐validation strategies are followed, depending on the spatial scale at which predictive performance is measured. Among metrics, Tjur's R2 and max‐Kappa generally increase with species' prevalence, whereas AUC and max‐TSS are largely independent of prevalence. Thus, Tjur's R2 and max‐Kappa often reach lower values when measured at the smallest scales considered in the study, while AUC and max‐TSS reaching similar values across the different spatial levels included in the study. However, they provide complementary insights on predictive performance. The very same model may appear excellent or poor not only due to the applied metric, but also how predictive performance is exactly calculated, calling for great caution on the interpretation of predictive performance. The most comprehensive evaluation of predictive performance can be obtained by evaluating predictive performance through the combination of measures providing complementary insights. Instead of following simple rules of thumb or focusing on absolute values, we recommend comparing the achieved predictive performance to the researcher's own a priori expectations on how easy it is to make predictions related to the same question that the model is used for.
Constructed rock riffles increase habitat heterogeneity but not biodiversity in streams constrained by urban impacts
Authors: Walsh Christopher J. , Webb J. Angus , Gwinn Daniel C. , Breen Peter F. 
Published: December 2023

AbstractRiffles are heterogeneous habitats that support diverse assemblages in natural streams. They are often constructed as part of stream restoration practice, including in degraded urban stream ecosystems, despite larger scale limits to ecological state. Such restoration practices fail to consider ecological theory, and their outcomes have rarely been robustly monitored and assessed. We assessed the effects of constructed rock riffles on habitat heterogeneity and on macroinvertebrate assemblages in six urban streams (4%–32% effective imperviousness). We compared habitat heterogeneity, and taxon abundance and richness of the six streams before and after (1 and 5 years) riffle construction and in three control streams without riffles. Riffles increased habitat heterogeneity. In contrast, macroinvertebrate assemblages in all streams were dominated by tolerant, cosmopolitan, and invasive taxa before and after riffle construction. Riffles reduced the abundance and richness of tolerant taxa in less urbanized streams and increased their richness in more urban streams. These changes had no effect on measures of biodiversity. Urban stormwater runoff can affect the degree to which rock riffles increase habitat heterogeneity through sediment transport and increased physical disturbance. In highly urban streams, increased habitat heterogeneity is likely to primarily favor cosmopolitan species that can tolerate frequent chemical and physical disturbance. Riffle construction may reduce the abundance of cosmopolitan species and increase the abundance of more sensitive species, but only if catchment‐scale impacts of urban stormwater runoff are adequately controlled. Robust experiments such as this add to general understanding of the effectiveness of restoration practice, reducing the need for ubiquitous monitoring of restoration projects.
Autonomic nervous modulation: early treatment for pulmonary artery hypertension
Authors: Xueyuan Liu , Yanping Xu , Jiaoqiong Guan , Yuehui Yin 
Published: December 2023

AbstractPulmonary artery hypertension (PAH) is a chronic vascular disease defined by the elevation of pulmonary vascular resistance and mean pulmonary artery pressure, which arises due to pulmonary vascular remodelling. Prior research has already established a link between the autonomic nervous system (ANS) and PAH. Therefore, the rebalancing of the ANS offers a promising approach for the treatment of PAH. The process of rebalancing involves two key aspects: inhibiting an overactive sympathetic nervous system and fortifying the impaired parasympathetic nervous system through pharmacological or interventional procedures. However, the understanding of the precise mechanisms involved in neuromodulation, whether achieved through medication or intervention, remains insufficient. This limited understanding hinders our ability to determine the appropriate timing and scope of such treatment. This review aims to integrate the findings from clinical and mechanistic studies on ANS rebalancing as a treatment approach for PAH, with the ultimate goal of identifying a path to enhance the safety and efficacy of neuromodulation therapy and improve the prognosis of PAH.
Direct Synthesis of N‐Alkyl‐2‐Pyridones Using 2‐Halogenated Pyridines
Authors: Chen Xia , Shi Jianyi , Lin Yuqun , Li Yibiao , Jiang Shaohua , Chen Tianxiang , Zhu Zhongzhi , Ma Aijun 
Published: December 2023

AbstractThis study describes a method of synthesising pyridine, quinoline, and isoquinoline ketones using 2‐halogenated N‐heterocycles as the starting materials under mild reaction conditions. Considering the significance of pyridones in organic chemistry, developing novel, green synthetic strategies is highly desirable. The reaction employs H2O as the solvent and source of O, rendering it green, and it is simple to execute, with a broad substrate scope and an excellent functional group tolerance.
Halide ions doped SrMnO3 for chemical looping oxidative dehydrogenation of ethane
Authors: Xing Zifan , Chen Haitao , Mao Min , Liang Xiaocen , Song Da , Li Yang , Long Tao , Chen Xiaoli , He Fang 
Published: December 2023

AbstractThe chemical looping oxidative dehydrogenation (CL‐ODH) of ethane represents a highly effective approach for converting ethane into the value‐added product ethylene. This investigation focused on the synthesis of SrMnO3 and its halide ions doped derivatives (SrMnO3Cl and SrMnO3Br) through the sol‐gel method. The performance of these perovskites, employed as oxygen carriers in CL‐ODH of ethane, was explored. The results unveiled several advantageous outcomes arising from the incorporation of halide ions (Cl− and Br−) with larger radius into the oxygen sites of the SrMnO3 perovskite. Halide ions doping notably induced cell volume expansion and enhanced lattice fringe spacing. Furthermore, it contributed to elevated oxygen vacancy concentration, increased Mn4+/Mn3+ molar ratio, and improved oxygen ions mobility within the bulk lattice. Fixed‐bed experiments demonstrated that these redox catalysts, doped with halide ions, exhibited outstanding activity and stability during cycling tests, exhibiting enhanced both ethylene selectivity and yield in CL‐ODH of ethane. In summary, the introduction of halide ions into SrMnO3 emerges as a promising strategy for enhancing the performance of CL‐ODH in ethane conversion for SrMnO3 based oxygen carriers. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.