bluuebunny/crossref_metadata_2025 huggingface dataset:
[3+3]-Annulation of Cyclic Nitronates with Vinyl Diazoacetates: Diastereoselective Synthesis of Partially Saturated [1,2]Oxazino[2,3-b][1,2]oxazines and Their Base-Promoted Ring Contraction to Pyrrolo[1,2-b][1,2]oxazine Derivatives
Authors: Antonova Yulia A. , Nelyubina Yulia V. , Ioffe Sema L. , Tabolin Andrey A.
Published: March 2023

A rhodium(II)-catalyzed reaction of cyclic nitronates (5,6-dihydro-4H-1,2-oxazine N-oxides) with vinyl diazoacetates proceeds as a [3+3]-annulation producing bicyclic unsaturated nitroso acetals (4a,5,6,7-tetrahydro-2H-[1,2]oxazino[2,3-b][1,2]oxazines). Optimization of reaction conditions revealed the use of Rh(II) octanoate as the preferred catalyst in THF at room temperature, which allows the preparation of target products in good yields and excellent diastereoselectivity. Under basic conditions, namely, the combined action of DBU and alcohol, these nitroso acetals undergo ring contraction of an unsaturated oxazine ring into the corresponding pyrrole. Both transformations can be performed in a one-pot fashion, thus constituting a quick approach to oxazine-annulated pyrroles from available starting materials, such as nitroalkenes, olefins, and diazo compounds.
DNA Binding and Cleavage, Stopped-Flow Kinetic, Mechanistic, and Molecular Docking Studies of Cationic Ruthenium(II) Nitrosyl Complexes Containing “NS4” Core
Authors: Shereef Hadeer A. , Moemen Yasmine S. , Elshami Fawzia I. , El-Nahas Ahmed M. , Shaban Shaban Y. , van Eldik Rudi
Published: March 2023

This work aimed to evaluate in vitro DNA binding mechanistically of cationic nitrosyl ruthenium complex [RuNOTSP]+ and its ligand (TSPH2) in detail, correlate the findings with cleavage activity, and draw conclusions about the impact of the metal center. Theoretical studies were performed for [RuNOTSP]+, TSPH2, and its anion TSP−2 using DFT/B3LYP theory to calculate optimized energy, binding energy, and chemical reactivity. Since nearly all medications function by attaching to a particular protein or DNA, the in vitro calf thymus DNA (ctDNA) binding studies of [RuNOTSP]+ and TSPH2 with ctDNA were examined mechanistically using a variety of biophysical techniques. Fluorescence experiments showed that both compounds effectively bind to ctDNA through intercalative/electrostatic interactions via the DNA helix’s phosphate backbone. The intrinsic binding constants (Kb), (2.4 ± 0.2) × 105 M−1 ([RuNOTSP]+) and (1.9 ± 0.3) × 105 M−1 (TSPH2), as well as the enhancement dynamic constants (KD), (3.3 ± 0.3) × 104 M−1 ([RuNOTSP]+) and (2.6 ± 0.2) × 104 M−1 (TSPH2), reveal that [RuNOTSP]+ has a greater binding propensity for DNA compared to TSPH2. Stopped-flow investigations showed that both [RuNOTSP]+ and TSPH2 bind through two reversible steps: a fast second-order binding, followed by a slow first-order isomerization reaction via a static quenching mechanism. For the first and second steps of [RuNOTSP]+ and TSPH2, the detailed binding parameters were established. The total binding constants for [RuNOTSP]+ (Ka = 43.7 M−1, Kd = 2.3 × 10−2 M−1, ΔG0 = −36.6 kJ mol−1) and TSPH2 (Ka = 15.1 M−1, Kd = 66 × 10−2 M, ΔG0 = −19 kJ mol−1) revealed that the relative reactivity is approximately ([RuNOTSP]+)/(TSPH2) = 3/1. The significantly negative ΔG0 values are consistent with a spontaneous binding reaction to both [RuNOTSP]+ and TSPH2, with the former being very favorable. The findings showed that the Ru(II) center had an effect on the reaction rate but not on the mechanism and that the cationic [RuNOTSP]+ was a more highly effective DNA binder than the ligand TSPH2 via strong electrostatic interaction with the phosphate end of DNA. Because of its higher DNA binding affinity, cationic [RuNOTSP]+ demonstrated higher cleavage efficiency towards the minor groove of pBR322 DNA via the hydrolytic pathway than TSPH2, revealing the synergy effect of TSPH2 in the form of the complex. Furthermore, the mode of interaction of both compounds with ctDNA has also been supported by molecular docking.
CoO–Co Heterojunction Covered with Carbon Enables Highly Efficient Integration of Hydrogen Evolution and 5-Hydroxymethylfurfural Oxidation
Authors: Zhao Lei , Du Shichao , Gong Rui , Jia Wanqi , Chen Zhimin , Ren Zhiyu
Published: March 2023

The renewable-energy-driven integration of hydrogen production and biomass conversion into value-added products is desirable for the current global energy transition, but still a challenge. Herein, carbon-coated CoO–Co heterojunction arrays were built on copper foam (CoO–Co@C/CF) by the carbothermal reduction to catalyze the hydrogen evolution reaction (HER) coupled with a 5-hydroxymethylfurfural electrooxidation reaction (HMFEOR). The electronic modulation induced by the CoO–Co heterojunction endows CoO–Co@C/CF with a powerful catalytic ability. CoO–Co@C/CF is energetic for HER, yielding an overpotential of 69 mV at 10 mA·cm−1 and Tafel slope of 58 mV·dec−1. Meanwhile, CoO–Co@C/CF delivers an excellent electrochemical activity for the selective conversion from HMF into 2,5-furandicarboxylic acid (FDCA), achieving a conversion of 100%, FDCA yield of 99.4% and faradaic efficiency of 99.4% at the lower oxidation potential, along with an excellent cycling stability. The integrated CoO–Co@C/CF||CoO–Co@C/CF configuration actualizes the H2O–HMF-coupled electrolysis at a satisfactory cell voltage of 1.448 V at 10 mA·cm−2. This work highlights the feasibility of engineering double active sites for the coupled electrolytic system.
Reconfigurable Single-Layer Graphene Radio Frequency Antenna Device Capable of Changing Resonant Frequency
Authors: Hwang Hyeon Jun , Kim So-Young , Lee Sang Kyung , Lee Byoung Hun
Published: March 2023

A reconfigurable passive device that can manipulate its resonant frequency by controlling its quantum capacitance value without requiring complicated equipment has been experimentally investigated by modifying the Fermi level of large-area graphene using an external electric field. When the total capacitance change, caused by the gate bias in the passive graphene device, was increased to 60% compared to the initial state, a 6% shift in the resonant frequency could be achieved. While the signal characteristics of the graphene antenna are somewhat inferior compared to the conventional metal antenna, simplifying the device structure allowed reconfigurable characteristics to be implemented by using only the gate bias change.
Application of Covalent Organic Frameworks (COFs) as Dyes and Additives for Dye-Sensitized Solar Cells (DSSCs)
Authors: Inácio Diogo , Pinto Ana Lucia , Paninho Ana B. , Branco Luis C. , Freitas Sunny K. S. , Cruz Hugo
Published: March 2023

Five Covalent Organic Frameworks (COFs) were synthesized and applied to Dye-Sensitized Solar Cells (DSSCs) as dyes and additives. These porous nanomaterials are based on cheap, abundant commercially available ionic dyes (thionin acetate RIO-43, Bismarck brown Y RIO-55 and pararosaniline hydrochloride RIO-70), and antibiotics (dapsone RIO-60) are used as building blocks. The reticular innovative organic framework RIO-60 is the most promising dye for DSSCs. It possesses a short-circuit current density (Jsc) of 1.00 mA/cm2, an open-circuit voltage (Voc) of 329 mV, a fill factor (FF) of 0.59, and a cell efficiency (η) of 0.19%. These values are higher than those previously reported for COFs in similar devices. This first approach using the RIO family provides a good perspective on its application in DSSCs as a dye or photoanode dye enhancer, helping to increase the cell’s lifespan.
Advanced Cellulose–Nanocarbon Composite Films for High-Performance Triboelectric and Piezoelectric Nanogenerators
Authors: González Jaime , Ghaffarinejad Ali , Ivanov Maxim , Ferreira Paula , Vilarinho Paula M. , Borrás Ana , Amorín Harvey , Wicklein Bernd
Published: March 2023

Natural polymers such as cellulose have interesting tribo- and piezoelectric properties for paper-based energy harvesters, but their low performance in providing sufficient output power is still an impediment to a wider deployment for IoT and other low-power applications. In this study, different types of celluloses were combined with nanosized carbon fillers to investigate their effect on the enhancement of the electrical properties in the final nanogenerator devices. Cellulose pulp (CP), microcrystalline cellulose (MCC) and cellulose nanofibers (CNFs) were blended with carbon black (CB), carbon nanotubes (CNTs) and graphene nanoplatelets (GNPs). The microstructure of the nanocomposite films was characterized by scanning electron and probe microscopies, and the electrical properties were measured macroscopically and at the local scale by piezoresponse force microscopy. The highest generated output voltage in triboelectric mode was obtained from MCC films with CNTs and CB, while the highest piezoelectric voltage was produced in CNF-CNT films. The obtained electrical responses were discussed in relation to the material properties. Analysis of the microscopic response shows that pulp has a higher local piezoelectric d33 coefficient (145 pC/N) than CNF (14 pC/N), while the macroscopic response is greatly influenced by the excitation mode and the effective orientation of the crystals relative to the mechanical stress. The increased electricity produced from cellulose nanocomposites may lead to more efficient and biodegradable nanogenerators.
Ultrafast Dynamics of Valley-Polarized Excitons in WSe2 Monolayer Studied by Few-Cycle Laser Pulses
Authors: Koutenský Petr , Slobodeniuk Artur , Bartoš Miroslav , Trojánek František , Malý Petr , Kozák Martin
Published: March 2023

We report on the experimental investigation of the ultrafast dynamics of valley-polarized excitons in monolayer WSe2 using transient reflection spectroscopy with few-cycle laser pulses with 7 fs duration. We observe that at room temperature, the anisotropic valley population of excitons decays on two different timescales. The shorter decay time of approximately 120 fs is related to the initial hot exciton relaxation related to the fast direct recombination of excitons from the radiative zone, while the slower picosecond dynamics corresponds to valley depolarization induced by Coloumb exchange-driven transitions of excitons between two inequivalent valleys.
Thermal and Radiation Stability in Nanocrystalline Cu
Authors: Thomas Marie , Salvador Heather , Clark Trevor , Lang Eric , Hattar Khalid , Mathaudhu Suveen
Published: March 2023

Nanocrystalline metals have presented intriguing possibilities for use in radiation environments due to their high grain boundary volume, serving as enhanced irradiation-induced defect sinks. Their promise has been lessened due to the propensity for nanocrystalline metals to suffer deleterious grain growth from combinations of irradiation and/or elevated homologous temperature. While approaches for stabilizing such materials against grain growth are the subject of current research, there is still a lack of central knowledge on the irradiation–grain boundary interactions in pure metals despite many studies on the same. Due to the breadth of available reports, we have critically reviewed studies on irradiation and thermal stability in pure, nanocrystalline copper (Cu) as a model FCC material, and on a few dilute Cu-based alloys. Our study has shown that, viewed collectively, there are large differences in interpretation of irradiation–grain boundary interactions, primarily due to a wide range of irradiation environments and variability in materials processing. We discuss the sources of these differences and analyses herein. Then, with the goal of gaining a more overarching mechanistic understanding of grain size stability in pure materials under irradiation, we provide several key recommendations for making meaningful evaluations across materials with different processing and under variable irradiation conditions.
Effects of Mindful Eating and YogaDance among Overweight and Obese Women: An Exploratory Randomized Controlled Trial
Authors: Henninger Sofie Hauerberg , Fibieger Anna Yde , Magkos Faidon , Ritz Christian
Published: March 2023

Many current treatment options for managing overweight and obesity consist of rather strict diet and exercise regimes that are difficult to implement as a lifelong routine. Therefore, alternative initiatives such as mindful eating and pleasure-oriented physical activity with more focus on implementation and enjoyment are needed to reverse the obesity epidemic. Mindful eating is an approach focusing on inner hunger and satiety signals. YogaDance is a novel exercise approach combining elements of yoga and dance. This study was a randomized controlled trial investigating the individual and combined effects of mindful eating and YogaDance. Participants were healthy, inactive women with overweight or obesity (body mass index ≥ 25 kg/m2 and/or waist circumference ≥ 80 cm) who were randomized to one of four groups for 8 weeks: mindful eating alone, YogaDance alone, the combination of mindful eating and YogaDance, or control. Fat mass was the primary outcome and secondary outcomes included body weight, waist circumference, and other physiological, behavioral, and quality-of-life outcomes. Sixty-one women were included in the study and randomized to mindful eating and YogaDance combined, YogaDance, mindful eating, or control. Fat mass was reduced by 1.3 kg (95% CI [−10.0, 7.3] kg; p = 0.77), 3.0 kg (95% CI [−11.1, 5.1] kg; p = 0.48), and 1.8 kg (95% CI [−10.1, 6.6] kg; p = 0.69) for the mindful eating, YogaDance, and combined mindful eating and YogaDance interventions, respectively, compared to the control, with corresponding effect sizes of 0.15, 0.34, and 0.21. In complete-case analyses, fat percent and waist circumference were reduced whereas mental quality of life and eating behavior were improved for mindful eating and mindful eating and YogaDance combined compared to the control. In conclusion, the study found modest benefits of an 8-week combination of mindful eating and YogaDance, corroborating findings in previous studies on mindful eating, yoga, and dance. However, the study had several limitations that should be taken into consideration, including low power due to a large drop-out as well as low to moderate training load and compliance. The trial was retrospectively registered (ISRCTN87234794).
Constipation-Predominant Irritable Bowel Syndrome (IBS-C): Effects of Different Nutritional Patterns on Intestinal Dysbiosis and Symptoms
Authors: Di Rosa Claudia , Altomare Annamaria , Terrigno Vittoria , Carbone Florencia , Tack Jan , Cicala Michele , Guarino Michele
Published: March 2023

Irritable bowel syndrome (IBS) is a chronic functional gastrointestinal disorder characterized by abdominal pain associated with defecation or a change in bowel habits. The pathogenesis of IBS is not completely clear, but it is known to be multifactorial and complex. Endogenous and exogenous factors such as abnormal GI motility, low-grade inflammation, increased epithelial permeability and visceral hypersensitivity, but diet and psychosocial aspects are also recognized as important actors. Furthermore, the interaction between diet and gut microbiota has gained interest as a potential contributor to the pathophysiology of IBS. To date, there is no specific diet for IBS with constipation (IBS-C); however, many studies show that fiber intake, especially soluble fiber such as inulin, could have a positive effect on symptoms. This review aims to evaluate the effects of some nutritional components such as fibers but also functional foods, prebiotics, probiotics and symbiotics on symptoms and microbiota in IBS-C subjects.
The NUTRIC Score as a Tool to Predict Mortality and Increased Resource Utilization in Intensive Care Patients with Sepsis
Authors: Wełna Marek , Adamik Barbara , Kübler Andrzej , Goździk Waldemar
Published: March 2023

The Nutrition Risk in Critically Ill score (NUTRIC) is an important nutritional risk assessment instrument for patients in the intensive care unit (ICU). The purpose of this study was to evaluate the power of the score to predict mortality in patients treated for sepsis and to forecast increased resource utilization and nursing workload in the ICU. The NUTRIC score predicted mortality (AUC 0.833, p < 0.001) with the optimal cut-off value of 6 points. Among patients with a score ≥ 6 on ICU admission, the 28-day mortality was 61%, and 10% with a score < 6 (p < 0.001). In addition, a NUTRIC score of ≥6 was associated with a more intense use of ICU resources, as evidenced by a higher proportion of patients requiring vasopressor infusion (98 vs. 82%), mechanical ventilation (99 vs. 87%), renal replacement therapy (54 vs. 26%), steroids (68 vs. 31%), and blood products (60 vs. 43%); the nursing workload was also significantly higher in this group. In conclusion, the NUTRIC score obtained at admission to the ICU provided a good discriminative value for mortality and makes it possible to identify patients who will ultimately require intense use of ICU resources and an associated increase in the nursing workload during treatment.
Comment on Qiu et al. Effect of Protein-Rich Breakfast on Subsequent Energy Intake and Subjective Appetite in Children and Adolescents: Systematic Review and Meta–Analysis of Randomized Controlled Trials. Nutrients 2021, 13, 2840
Authors: Henschel Beate , Chen Xiwei , Dickinson Stephanie L. , Brown Andrew W. , Allison David B.
Published: March 2023

In reading Qiu et al. [...]
A Rare Case of Strongyloides stercoralis Hyperinfection in a Diabetic Patient from Romania—Case Report and Review of the Literature
Authors: Costache Carmen , Colosi Ioana Alina , Neculicioiu Vlad Sever , Florian Diana Ioana , Petrushev Bobe , Vasvari Alexandra , Seicean Andrada
Published: March 2023

Severe cases of strongyloidiasis are most often associated with multiple causes of immune suppression, such as corticoid treatment and HTLV (human T-lymphotropic virus) coinfection. Diabetes is not traditionally considered a risk factor for the development of severe strongyloidiasis. We report a rare case of autochthonous severe strongyloidiasis in Romania, a European country with a temperate climate. A 71-year-old patient with no prior travel history was admitted with multiple gastrointestinal complaints and recent weight loss. CT (computed tomography) scans indicated duodenal wall thickening, and duodenal endoscopy evidenced mucosal inflammation, ulcerations and partial duodenal obstruction at D4. Microscopic examination of stool samples and biopsy specimens from the gastric and duodenal mucosa revealed an increased larval burden characteristic of Strongyloides stercoralis hyperinfection. Sequential treatment with albendazole and ivermectin achieved parasitological cure and complete recovery. The novelty of our case stems from the scarcity of severe strongyloidiasis cases reported in Europe and especially in Romania, the absence of other risk factors in our patient aside from diabetes, the involvement of the gastric mucosa and the rare presentation as partial duodenal obstruction. This case highlights the importance of considering strongyloidiasis as a differential diagnosis, even in temperate climates where cases are sporadic, in cases in which immune suppression is not evident and in the absence of eosinophilia. The case is presented in the context of the first literature review examining the relationship between severe strongyloidiasis and diabetes, emphasizing diabetes as a possible risk factor for severe strongyloidiasis.
Pharmacotherapy for Pulmonary Hypertension in Infants with Bronchopulmonary Dysplasia: Past, Present, and Future
Authors: Fike Candice D. , Aschner Judy L.
Published: March 2023

Approximately 8–42% of premature infants with chronic lung disease of prematurity, bronchopulmonary dysplasia (BPD), develop pulmonary hypertension (PH). Infants with BPD-PH carry alarmingly high mortality rates of up to 47%. Effective PH-targeted pharmacotherapies are desperately needed for these infants. Although many PH-targeted pharmacotherapies are commonly used to treat BPD-PH, all current use is off-label. Moreover, all current recommendations for the use of any PH-targeted therapy in infants with BPD-PH are based on expert opinion and consensus statements. Randomized Control Trials (RCTs) are needed to determine the efficacy of PH-targeted treatments in premature infants with or at risk of BPD-PH. Prior to performing efficacy RCTs, studies need to be conducted to obtain pharmacokinetic, pharmacodynamic, and safety data for any pharmacotherapy used in this understudied and fragile patient population. This review will discuss current and needed treatment strategies, identify knowledge deficits, and delineate both challenges to be overcome and approaches to be taken to develop effective PH-targeted pharmacotherapies that will improve outcomes for premature infants with or at risk of developing BPD-PH.
Cytotoxic Activity of α-Aminophosphonic Derivatives Coming from the Tandem Kabachnik–Fields Reaction and Acylation
Authors: Varga Petra R. , Szabó Rita Oláhné , Dormán György , Bősze Szilvia , Keglevich György
Published: March 2023

Encouraged by the significant cytotoxic activity of simple α-aminophosphonates, a molecular library comprising phosphonoylmethyl- and phosphinoylmethyl-α-aminophosphonates, a tris derivative, and N-acylated species was established. The promising aminophosphonate derivatives were subjected to a comparative structure–activity analysis. We evaluated 12 new aminophosphonate derivatives on tumor cell cultures of different tissue origins (skin, lung, breast, and prostate). Several derivatives showed pronounced, even selective cytostatic effects. According to IC50 values, phosphinoylmethyl-aminophosphonate derivative 2e elicited a significant cytostatic effect on breast adenocarcinoma cells, but it was even more effective against prostatic carcinoma cells. Based on our data, these new compounds exhibited promising antitumor activity on different tumor types, and they might represent a new group of alternative chemotherapeutic agents.
Mineralization of Bone Extracellular Matrix-like Scaffolds Fabricated as Silk Sericin-Functionalized Dense Collagen–Fibrin Hybrid Hydrogels
Authors: Griffanti Gabriele , McKee Marc D. , Nazhat Showan N.
Published: March 2023

The design of hydrogels that combine both the biochemical cues needed to direct seeded cellular functions and mineralization to provide the structural and mechanical properties approaching those of mineralized native bone extracellular matrix (ECM) represents a significant challenge in bone tissue engineering. While fibrous hydrogels constituting of collagen or fibrin (and their hybrids) can be considered as scaffolds that mimic to some degree native bone ECM, their insufficient mechanical properties limit their application. In the present study, an automated gel aspiration–ejection (automated GAE) method was used to generate collagen–fibrin hybrid gel scaffolds with micro-architectures and mechanical properties approaching those of native bone ECM. Moreover, the functionalization of these hybrid scaffolds with negatively charged silk sericin accelerated their mineralization under acellular conditions in simulated body fluid and modulated the proliferation and osteoblastic differentiation of seeded MC3T3-E1 pre-osteoblastic cells. In the latter case, alkaline phosphatase activity measurements indicated that the hybrid gel scaffolds with seeded cells showed accelerated osteoblastic differentiation, which in turn led to increased matrix mineralization. In summary, the design of dense collagen–fibrin hybrid gels through an automated GAE process can provide a route to tailoring specific biochemical and mechanical properties to different types of bone ECM-like scaffolds, and can provide a model to better understand cell–matrix interactions in vitro for bioengineering purposes.
Modulation of the Cytotoxic Properties of Pd(II) Complexes Based on Functionalized Carboxamides Featuring Labile Phosphoryl Coordination Sites
Authors: Aleksanyan Diana V. , Konovalov Aleksandr V. , Churusova Svetlana G. , Rybalkina Ekaterina Yu. , Peregudov Alexander S. , Aksenova Svetlana A. , Gutsul Evgenii I. , Klemenkova Zinaida S. , Kozlov Vladimir A.
Published: March 2023

Platinum-based drugs are commonly recognized as a keystone in modern cancer chemotherapy. However, intrinsic and acquired resistance as well as serious side effects often caused by the traditional Pt(II) anticancer agents prompt a continuous search for more selective and efficient alternatives. Today, significant attention is paid to the compounds of other transition metals, in particular those of palladium. Recently, our research group has suggested functionalized carboxamides as a useful platform for the creation of cytotoxic Pd(II) pincer complexes. In this work, a robust picolinyl- or quinoline-carboxamide core was combined with a phosphoryl ancillary donor group to achieve hemilabile coordination capable of providing the required level of thermodynamic stability and kinetic lability of the ensuing Pd(II) complexes. Several cyclopalladated derivatives featuring either a bi- or tridentate pincer-type coordination mode of the deprotonated phosphoryl-functionalized amides were selectively synthesized and fully characterized using IR and NMR spectroscopy as well as X-ray crystallography. The preliminary evaluation of the anticancer potential of the resulting palladocycles revealed a strong dependence of their cytotoxic properties on the binding mode of the deprotonated amide ligands and demonstrated certain advantages of the pincer-type ligation.
Dried Blood Spot Sampling to Assess Rifampicin Exposure and Treatment Outcomes among Native and Non-Native Tuberculosis Patients in Paraguay: An Exploratory Study
Authors: Ghimire Samiksha , Molinas Gladys , Battaglia Arturo , Martinez Nilza , Gómez Paciello Luis , Aguirre Sarita , Alffenaar Jan-Willem C. , Sturkenboom Marieke G. G. , Magis-Escurra Cecile
Published: March 2023

The aim of this study was to evaluate the difference in drug exposure of rifampicin in native versus non-native Paraguayan populations using dried blood spots (DBS) samples collected utilizing a limited sampling strategy. This was a prospective pharmacokinetic study that enrolled hospitalized tuberculosis (TB) patients from both native and non-native populations receiving oral rifampicin 10 mg/kg once-daily dosing. Steady-state DBS samples were collected at 2, 4, and 6 h after intake of rifampicin. The area under the time concentration curve 0–24 h (AUC0–24) was calculated using a Bayesian population PK model. Rifampicin AUC0–24 < 38.7 mg*h/L was considered as low. The probability of target attainment (PTA) was calculated using AUC0–24/MIC > 271 as a target and estimated MIC values of 0.125 and 0.25 mg/L. In total, 50 patients were included. Native patients (n = 30) showed comparable drug exposure to the non-natives (n = 20), median AUC0–24 24.7 (17.1–29.5 IQR) and 21.6 (15.0–35.4 IQR) mg*h/L (p = 0.66), respectively. Among total patients, only 16% (n = 8) had a rifampicin AUC0–24 > 38.7 mg*h/L. Furthermore, PTA analysis showed that only 12 (24%) of the patients met a target AUC0–24 /MIC ≥ 271, assuming an MIC of 0.125 mg/L, which plummeted to 0% at a wild-type MIC of 0.25 mg/L. We successfully used DBS and limited sampling for the AUC0–24 estimation of rifampicin. Currently, our group, the EUSAT-RCS consortium, is preparing a prospective multinational, multicenter phase IIb clinical trial evaluating the safety and efficacy of high-dose rifampicin (35 mg/kg) in adult subjects using the DBS technique for AUC0–24 estimation.
Isolation and Characterization of the Genes Involved in the Berberine Synthesis Pathway in Asian Blue Cohosh, Caulophyllum robustum
Authors: Park Nam-Il , Roy Neha Samir , Park Yeri , Choi Beom-Soon , Jeon Mi Jin , Oh Ji Yeon , Kim Bo-Yun , Kim Young-Dong , Kim Yong-In , Um Taeyoung , Kwak Hwan Jong , Kim Nam-Soo , Kim Soonok , Choi Ik-Young
Published: March 2023

Caulophyllum robustum, commonly named Asian blue cohosh, is a perennial herb in the family Berberidaceae. It has traditionally been used for folk medicine in China. We isolated berberine from the leaves, stem, roots, and fruits of C. robustum, and this is the first report on berberine in this species. Transcriptome analysis was conducted for the characterization of berberine biosynthesis genes in C. robustum, in which, all the genes for berberine biosynthesis were identified. From 40,094 transcripts, using gene ontology (GO) analysis, 26,750 transcripts were assigned their functions in the categories of biological process, molecular function, and cellular component. In the analysis of genes expressed in different tissues, the numbers of genes in the categories of intrinsic component of membrane and transferase activity were up-regulated in leaves versus stem. The berberine synthesis genes in C. robustum were characterized by phylogenetic analysis with corresponding genes from other berberine-producing species. The co-existence of genes from different plant families in the deepest branch subclade implies that the differentiation of berberine synthesis genes occurred early in the evolution of berberine-producing plants. Furthermore, the copy number increment of the berberine synthesis genes was detected at the species level.
Assessing the Reproductive Ecology of a Rare Mint, Macbridea alba, an Endangered Species Act Protected Species
Authors: Johnson Sara A. , Coons Janice , Zaya David N. , Molano-Flores Brenda
Published: March 2023

Many rare plant species lack up-to-date research about their reproductive ecology, which challenges effective in situ and ex situ conservation, particularly in the face of ongoing environmental and anthropogenic changes. For protected species, outdated and incomplete information also creates barriers to successful recovery planning and delisting. In this study, we gathered a range of reproductive metrics for the federally threatened and state endangered Florida endemic mint, Macbridea alba Chapman (Lamiaceae). We collected data at seven populations within Apalachicola National Forest (Florida, USA) and conducted germination trials to estimate reproductive potential. Additionally, we observed a previously undocumented lepidopteran seed predator for the species and confirmed the occurrence of vivipary. The seed set was low with less than 20% of flowers per inflorescence producing seed across populations; however, germination was high with more than 60% of seeds germinating in five of seven populations. When comparing our results to previous research conducted more than 20 years ago, the results were similar overall (i.e., germination, vivipary); however, new information emerged (i.e., herbivore pressure). As M. alba undergoes reassessment as a potential candidate for delisting from the Endangered Species Act (ESA) list, this information is critical for assessing recovery goals and decisions regarding the species’ protected status. For recovery needs related to propagation and reintroduction, these results can inform future seed collection and propagation efforts for the species.
Preparation and Desalination of Semi-Aromatic Polyamide Reverse Osmosis Membranes (ROMs)
Authors: Zhu Haiyang , Yuan Bingbing , Li Yuchuan
Published: March 2023

Reverse osmosis membrane (ROM) technology has a series of advantages, such as a simple process, no secondary pollution, high efficiency, energy saving, environmental protection, and good separation and purification effects. High-performance semi-aromatic polyamide reverse osmosis membranes (ROMs) were prepared by interfacial polymerization (IP) of novel cyclopentanecarbonyl chloride (CPTC) and m-phenylenediamine (MPD) monomers. The surface morphology, hydrophilicity and charge of the ROMs were characterized by field-emission scanning electron microscopy (SEM), a contact angle tester and a solid-surface zeta potential analyzer. The effects of CPTC concentration, MPD concentration, oil-phase solvent type, IP reaction time and additive concentration on the performance of semi-aromatic polyamide ROMs were studied. SEM morphology characterization showed that the surface of the prepared polyamide ROMs presented a multinodal structure. The performance test showed that when the concentration of MPD in the aqueous phase was 2.5 wt.%, the concentration of sodium dodecylbenzene sulfonate (SDBS) was 0.2%, the residence time in the aqueous phase was 2 min, the concentration of CPTC/cyclohexane in the oil phase was 0.13 wt.%, the IP reaction was 20 s, the NaCl rejection rate of the semi-aromatic polyamide ROM was 98.28% and the flux was 65.38 L/m2·h, showing good desalination performance. Compared with an NF 90 commercial membrane, it has a good anti-BSA pollution ability.
Enhanced Adhesion of Electrospun Polycaprolactone Nanofibers to Plasma-Modified Polypropylene Fabric
Authors: Janů Lucie , Dvořáková Eva , Polášková Kateřina , Buchtelová Martina , Ryšánek Petr , Chlup Zdeněk , Kruml Tomáš , Galmiz Oleksandr , Nečas David , Zajíčková Lenka
Published: March 2023

Excellent adhesion of electrospun nanofiber (NF) to textile support is crucial for a broad range of their bioapplications, e.g., wound dressing development. We compared the effect of several low- and atmospheric pressure plasma modifications on the adhesion between two parts of composite—polycaprolactone (PCL) nanofibrous mat (functional part) and polypropylene (PP) spunbond fabric (support). The support fabrics were modified before electrospinning by low-pressure plasma oxygen treatment or amine plasma polymer thin film or treated by atmospheric pressure plasma slit jet (PSJ) in argon or argon/nitrogen. The adhesion was evaluated by tensile test and loop test adapted for thin NF mat measurement and the trends obtained by both tests largely agreed. Although all modifications improved the adhesion significantly (at least twice for PSJ treatments), low-pressure oxygen treatment showed to be the most effective as it strengthened adhesion by a factor of six. The adhesion improvement was ascribed to the synergic effect of high treatment homogeneity with the right ratio of surface functional groups and sufficient wettability. The low-pressure modified fabric also stayed long-term hydrophilic (ten months), even though surfaces usually return to a non-wettable state (hydrophobic recovery). In contrast to XPS, highly surface-sensitive water contact angle measurement proved suitable for monitoring subtle surface changes.
Facile Obtainment of Fluorescent PEG Hydrogels Bearing Pyrene Groups by Frontal Polymerization
Authors: Martínez-Serrano Ricardo D. , Cuétara-Guadarrama Fabián , Vonlanthen Mireille , Illescas Javier , Zhu Xiao-Xia , Rivera Ernesto
Published: March 2023

Frontal polymerization (FP) was used to prepare poly(ethylene glycol) methyl ether acrylate (PEGMA) fluorescent polymer hydrogels containing pyrenebutyl pendant groups as fluorescent probes. The polymerization procedure was carried out under solvent-free conditions, with different molar quantities of pyrenebutyl methyl ether methacrylate (PybuMA) and PEGMA, in the presence of tricaprylmethylammonium (Aliquat 336®) persulfate as a radical initiator. The obtained PEGPy hydrogels were characterized by FT-IR spectroscopy, confirming the effective incorporation of the PybuMA monomer into the polymer backbone. The thermal properties of the hydrogels were determined using thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). After immersing the hydrogels in deionized water at 25 °C and pH = 7, their swelling behavior was investigated by mass gain at different pH and temperature values. The introduction of PybuMA comonomer into the hydrogel resulted in a decreased swelling ability due to the hydrophobicity of PybuMA. The optical properties of PEGPy were determined by UV-visible absorption and fluorescence spectroscopies. Both monomer and excimer emission bands were observed at 379–397 and 486 nm, respectively, and the fluorescence spectra of the PEGPy hydrogel series were recorded in different solvents to explore the coexistence of monomer and excimer emissions.
Highly Toughened Nanostructured Self-Assembled Epoxy-Based Material—Correlation Study between Nanostructured Morphology and Fracture Toughness—Impact Characteristics
Authors: Remya Vasudevan Pillay , Parani Sundararajan , Sakho El Hadji Mamour , Rajendran Jose Varghese , Maluleke Rodney , Lebepe Thabang Calvin , Masha Sam , Hameed Nishar , Thomas Sabu , Oluwafemi Oluwatobi Samuel
Published: March 2023

We present an efficient and effective method for preparing a novel self-assembled nanostructured material with high toughness and impact strength from a blend of di-glycidyl ether of bisphenol-A (DGEBA) and epoxidized poly(styrene-block-butadiene-block-styrene) (eSBS55) tri-block copolymer. The field emission scanning electron microscopy and transmission electron microscope results show the nanostructured morphological characteristics of the blends. This study achieved the highest fracture toughness, with a fracture toughness in the form of critical stress intensity factors (KIC) value of 2.54 MPa m1/2, in epoxy/block copolymer blends compared to previous works in the field. The impact strength also increased by 116% compared to neat epoxy. This is a major advancement in epoxy toughening due to the use of a single secondary phase. The resulting highly tough and impact-resistant material is a promising candidate for coating applications in industries such as flooring, building, aerospace, and automobiles.
Composition and Workability of Plastic Fractions Recovered from Commingled Waste Discarded by a Composting Plant
Authors: Badini Claudio , Ostrovskaya Oxana , Bernagozzi Giulia , Artusio Andrea
Published: March 2023

This paper deals with the recovery of plastic fractions from waste discarded by an industrial composting plant that processes the organic fraction of municipal solid waste. Polymeric fractions (PE, PP and PET) were sorted from this discarded waste using a NIR separator. The polymeric fractions were then washed to remove residual contaminants and characterized with the aim of assessing their composition. A process of pelletizing and injection molding suitable for producing specimens made of 100% of these recovered materials was set up. The tensile strength and stiffness, as well as the microstructure of the recycled plastics, were investigated. The mechanical features of samples fully made of recycled PE and PP were like those characteristic of virgin polymers. Samples made of PET did not show completely satisfactory properties, as they displayed rather poor elastic modulus and ductility.
Production of Cellulose Pulp and Lignin from High-Density Apple Wood Waste by Preimpregnation-Assisted Soda Cooking
Authors: Gao Shuai , Tian Guoyu , Fu Yingjuan , Wang Zhaojiang
Published: March 2023

Apple wood waste (AWW), mainly tree trucks, is collectible lignocellulosic biomass from orchard rotation. The biorefinery of AWW is challenging because of the hard and dense structure. In the present work, chemical composition determination and microstructure observation was performed for the first time on AWW. Alkali-preimpregnation-assisted soda cooking (APSC) was developed to separate cellulose a pulp and lignin from AWW. APSC attained pulp yield of 34.2% at 23% NaOH, showing a 13.2% improvement compared to conventional soda cooking (SC). Fiber length analysis showed APSC-AWW pulp consisted mainly of medium and short fibers, which means blending with long-fibered pulp to enhance the physical strength of pulp sheets. A blend of APSC-AWW pulp and long-fibered pulp in the proportion of 80:20 attained comparable physical strength to hardwood kraft pulp. ASPC-AWW lignin was separated from spent liquor by acidification and then purified by dialysis desalination. The purified ASPC-AWW lignin showed a weight-average molecular weight of 4462 g/mol, similar to softwood kraft lignin but more uniform. Structural analysis revealed that ASPC-AWW lignin was composed of a syringyl unit (S), guaiacyl unit(G), and p-hydroxyphenyl unit (H), and an S unit was dominant with an S/G/H ratio of 74.5:18.2:7.3. It is believed the utilization of fruit tree wood waste as the feedstock of biorefinery is attractive to countries without sufficient forestry resources. Furthermore, the developed APSC is based on conventional SC, which ensures the feasibility of an industrial application.
The Biomodified Lignin Platform: A Review
Authors: Fabbri Filippo , Bischof Sabrina , Mayr Sebastian , Gritsch Sebastian , Jimenez Bartolome Miguel , Schwaiger Nikolaus , Guebitz Georg M. , Weiss Renate
Published: March 2023

A reliance on fossil fuel has led to the increased emission of greenhouse gases (GHGs). The excessive consumption of raw materials today makes the search for sustainable resources more pressing than ever. Technical lignins are mainly used in low-value applications such as heat and electricity generation. Green enzyme-based modifications of technical lignin have generated a number of functional lignin-based polymers, fillers, coatings, and many other applications and materials. These bio-modified technical lignins often display similar properties in terms of their durability and elasticity as fossil-based materials while also being biodegradable. Therefore, it is possible to replace a wide range of environmentally damaging materials with lignin-based ones. By researching publications from the last 20 years focusing on the latest findings utilizing databases, a comprehensive collection on this topic was crafted. This review summarizes the recent progress made in enzymatically modifying technical lignins utilizing laccases, peroxidases, and lipases. The underlying enzymatic reaction mechanisms and processes are being elucidated and the application possibilities discussed. In addition, the environmental assessment of novel technical lignin-based products as well as the developments, opportunities, and challenges are highlighted.
Influence of Process Parameters on the Kinetics of the Micelle-to-Vesicle Transition and Ripening of Polystyrene-Block-Polyacrylic Acid
Authors: Mann Jil , Mayer Julian K. , Garnweitner Georg , Schilde Carsten
Published: March 2023

Due to their ability to self-assemble into complex structures, block copolymers are of great interest for use in a wide range of future applications, such as self-healing materials. Therefore, it is important to understand the mechanisms of their structure formation. In particular, the process engineering of the formation and transition of the polymer structures is required for ensuring reproducibility and scalability, but this has received little attention in the literature. In this article, the influence of the addition rate of the selective solvent on the homogeneity of self-assembled vesicles of polystyrene-block-polyacrylic acid is demonstrated, as well as the influence of the reaction time and the mixing intensity on the morphology of the polymer structures. For example, it was demonstrated that the higher the mixing intensity, the faster the transition from micelle to vesicle. The experimental results are further supported by CFD simulations, which visually and graphically show an increase in shear rate and narrower shear rate distributions at higher stirring rates. Furthermore, it was demonstrated that the vesicle size is not only kinetically determined, since flow forces above a critical size lead to the deformation and fission of the vesicles.
Review of the Application of Microwave Heating Technology in Asphalt Pavement Self-Healing and De-icing
Authors: Zhang Letao , Zhang Zihan , Yu Weixiao , Miao Yinghao
Published: March 2023

In the past decades, a large amount of research was conducted to investigate the application prospect of microwave heating technology in improving the efficiency of asphalt pavement self-healing and de-icing. This paper reviewed the achievements in this area. Firstly, the properties of asphalt concrete after microwave heating were summarized, including microwave sensitivity and heating uniformity. Then, the evaluation indicators and influence factors of the self-healing properties of the asphalt mixtures heated by microwave were reviewed. Finally, the application of microwave heating in asphalt pavement de-icing was explored. In addition, asphalt pavement aging due to microwave heating was also reviewed. It was found that microwave heating technology has good prospects in promoting asphalt pavement self-healing and de-icing. There are also some problems that should be studied in depth, such as the cost-effectiveness of microwave-sensitive additives (MSAs), the performance of the pavement with MSAs, mechanism-based self-healing performance indicators, and the aging of asphalt pavements under cycling microwave heating.
Study on Improving Measures of Mechanical Properties of Geopolymer Materials and Its Effect on CO2 Emission
Authors: Luo Jinqian , Shi Xiaoshuang , Wang Qingyuan , Dai Jinxin , Deng Xiang , Xue Yu
Published: March 2023

Using construction and demolition waste composites (CDWC) and fly ash (FA) to replace cement to produce concrete can reduce CO2 emissions. However, the CDWC-based geopolymer materials have two imperfections: the compressive strength is prone to decrease with the increase of curing age (strength shrinkage) under heat curing conditions, and the strength develops slowly under ambient curing conditions. To solve the problems of these materials, on the one hand, we designed an experiment of preparing CDWC-based geopolymer concrete (CDWGC) with pretreated CDWC at different high temperatures. We analyzed the influence of different pretreatment temperatures on the mechanical properties of CDWGC through compressive strength, SEM-EDS and XRD. On the other hand, we added CaO to improve the mechanical properties of CDWC-based geopolymer paste (CDWGP) under ambient curing conditions. Further, the CO2 emissions of pretreating CDWC and adding CaO were calculated by life cycle assessment (LCA). The results show that: (1) Pretreatment of CDWC can effectively solve the problem of CDWGC strength shrinkage. (2) The compressive strength of CDWGP cured at ambient can be significantly improved by adding CaO, and the compressive strength can be increased by 180.9% when the optimum content is 3%. (3) Adding CaO had less impact on CO2 emissions, a low-carbon way to improve its strength effectively.
A Novel Security Framework for the Enhancement of the Voltage Stability in a High-Voltage Direct Current System
Authors: Alsaduni Ibrahim
Published: March 2023

Due to financial limitations, power systems are being operated closer to their stability boundaries. Voltage stability analysis is crucial to preserve a power system’s equilibrium. However, this impacts a system’s dependability and security, and maintaining a power system’s voltage stability is a difficult challenge. Additionally, the inverters and converters in a high-voltage direct current (HVDC) system use a significant amount of reactive power, which exacerbates voltage instability. In this study, a new algorithm called Adaptive Neural Spider Monkey (ANSMA) was developed to improve the voltage stability security in an HVDC system. Additionally, the proposed ANSMA maintains voltage stability while scheduling the loads in the generator. Moreover, applying artificial-intelligence-related energy systems to these issues is considered an efficient solution. Fuzzy, neural, ANN, and other improvements in artificial intelligence approaches, along with power semiconductor devices, have significantly impacted the ability to detect defects in HVDC systems. Furthermore, MATLAB/Simulink is used in the implementation of this developed ANSMA model. After this, the parameters are calculated, and the resulting methodology is tested on an IEEE 50-bus system. Finally, the simulation results are verified using currently used techniques to assess the effectiveness of the suggested ANSMA model.