bluuebunny/crossref_metadata_2025 huggingface dataset:
Small Energetic Disorder Enables Ultralow Energy Losses in Non‐Fullerene Organic Solar Cells
Authors: Shi Yanan , Zhu Lingyun , Yan Yangjun , Xie Meiling , Liang Guang , Qiao Jiawei , Zhang Jianqi , Hao Xiaotao , Lu Kun , Wei Zhixiang
Published: April 2023

The relatively large non‐radiative recombination energy loss (ΔE3) is the main source of energy losses in organic solar cells (OSCs). The energetic disorder plays a crucial role in non‐radiative energy losses; however, reducing the energetic disorder by modifying terminal groups has rarely been investigated. Herein, four acceptors, BTP‐ICB1F, BTP‐ICB2F, BTP‐ICB3F, and BTP‐ICBCF3, with fluorinated phenyl terminal groups are reported at identified substitution sites. The theoretical and experimental results show that this system possesses smaller energetic disorder than the generally‐used Y6 acceptor due to the strong electron polarization effect arising from tight, 3D molecular packing. Therefore, the PM6:BTP‐ICBCF3 combination achieves high efficiency of 17.8% with high open circuit voltage (VOC) of 0.93 V and ultralow ΔE3 of 0.18 eV, which is the smallest ΔE3 for the binary OSCs with power conversion efficiency (PCEs) over 17% reported to date. Lastly, using the ternary strategy by incorporating the BTP‐ICBCF3 acceptor into PM6:BTP‐eC9, a higher PCE of 18.2% is achieved with enhanced VOC. The results imply that introducing new terminal groups in acceptors is promising for reducing energetic disorder and energy losses.
Interseeded cover crops did not reduce silage corn performance in the sandy loam soils of South Carolina
Authors: St. Aime Ricardo , Bridges William C. , Narayanan Sruthi
Published: April 2023

A major concern with interseeding summer cover crops alongside cash crops is the possibility of cover crops competing with the main crop for water and nutrients and thus, reducing the main crop yields. We conducted on‐farm trials in the sandy loam soils of the upstate of South Carolina in 2020 and 2021 to evaluate the effect of white clover (Trifolium repens L.), buckwheat (Fagopyrum esculentum Moench), and pigeon pea (Cajanus cajan (L.) Millsp.) and their mixture interseeded at V4, V7, and V10 corn growth stages on silage corn performance and soil moisture content. We found that none of the cover crops affected silage corn height and aboveground biomass production regardless of the interseeding time. Further, the volumetric water content in the upper 20‐cm soil profile was not decreased by cover crops irrespective of their interseeding time. At physiological maturity, corn height, aboveground biomass, and volumetric water content ranged between 131 and 163 cm, 9 and 23 Mg ha−1, and 10% and 22%, respectively, in season‐1 and between 181 and 216 cm, 0.48 and 1.03 Mg ha−1, and 10% and 17%, respectively, in season‐2 when interseeded with cover crops. When cover crops were not interseeded, the average corn height, aboveground biomass, and volumetric water content values were 152 cm, 13 Mg ha−1, and 13%, respectively, in season‐1 and 204 cm, 0.7 Mg ha−1, and 14%, respectively, in season‐2. These results would encourage farmers who want to consider cover crop interseeding with corn in the regional production systems.
Numerical simulation and experiment of the emergence of young potato sprouts through soil‐covered plastic mulching
Authors: Liu Quandong , Sun Wei , Zhang Hua , Liu Xiaolong , Li Hui , Simionescu Petru A.
Published: April 2023

In this paper, the effect of covering the plastic film mulch with soil of different thicknesses, on the resistance of potato young stems to break through the plastic film was simulated using the explicit dynamic analysis software LS‐DYNA. The constitutive models of young potato stems, plastic film, and covering soil, specific to potato cultivation on the Loess Plateau of Northwest China, were established. The influence of the covering soil thickness on the resistance to breaking by the potato sprout was analyzed and the film breaking time and sprout resistance to growth were then compared. The simulation results reveal that, to minimize both film breaking time and resistance to sprout growth, a thickness of about 40 mm of the film‐covering soil can be considered a good choice in potato cultivation using plastic‐film mulching technology. The results were confirmed experimentally by the authors and matched previous experimental research reported in the literature.
Breeding safflower for adaptation to autumn sowing by interspecific hybridization
Authors: Espanani Soheila , Majidi Mohammad Mahdi , Zadeh Mahboubeh Komranian , Saeidi Ghodratollah
Published: April 2023

In the light of current global climate change, gene introgression from wild relatives is a key strategy for increasing adaptation of crops that lost their variation during evolutionary bottleneck. Fall‐sown safflower leads to earlier spring growth and potentially higher productivity than the spring‐sown safflower, because of escaping from the terminal stresses of drought, heat, disease, and pests as well as efficient use of winter precipitation. During the last decade, we developed advanced generations of three sets of recombinant inbred lines (RILs) derived from three crosses of Carthamus tinctorius × Carthamus palaestinus (TP), C. tinctorius × Carthamus oxyacanthus (TO) and C. palaestinus × C. oxyacanthus (PO). The objectives of this study were to assess the efficiency of gene introgression from two wild relatives of safflower and genetic variation of derived RILs in terms of adaptation to autumn sowing and cold tolerance in the field. The results showed a continuous variation for seed yield and oil content in RILs, indicating the existence of transgressive segregation in lines. Comparison of three interspecific populations indicated that lines derived from TP crosses showed high potential for autumn planting, winter hardness, and productivity of seed and oil yield. However, the RILs derived from PO and TO had higher chlorophyll fluorescence (Fv/Fm) than TP population. Our results indicated that restoring lost genes in safflower is possible by introgression from its close relatives (especially C. palaestinus species). Identified superior RILs can be checked for other biotic and abiotic tolerance to develop new varieties in this valuable oil seed crop.
Remarkable improvement of gas–liquid mass transfer by modifying the structure of conventional T‐junction microchannel
Authors: Sheng Lin , Chang Yu , Wang Junjie , Deng Jian , Luo Guangsheng
Published: April 2023

Enhancing the mass transfer performance just by modifying the channel structure without external energy input is one of the most important topics for microchemical technology development. This work reports the high‐performance gas–liquid mass transfer in a novel step T‐junction microchannel. The liquid‐side mass transfer coefficient in the step T‐junction has been significantly improved by one order of magnitude when compared with the conventional T‐junction, which is higher up to 60 × 10−4 m/s. To our knowledge, it might be the highest value obtained in the microchannel without external energy input. The parameters of bubble generation frequency and gas–liquid interface movement velocity in different microdevices are explored to reveal the mechanism behind the ultra‐high mass transfer coefficient in the step T‐junction. Finally, two models considering the gas absorption are developed for the bubble generation frequency and volume, and two models are proposed for the gas–liquid mass transfer coefficient.
New understanding from intestinal absorption model: How physiological features influence mass transfer and absorption
Authors: Qin Yifan , Chen Xiao Dong , Yu Aibing , Xiao Jie
Published: April 2023

Mathematical modeling of mass transfer and absorption in the small intestine has been a challenging task. Systematic review and analysis of existing efforts indicate the need to pursue a reliable predictive model that is physically sound and computationally efficient. With the consideration of 3D intestinal inner wall structure, this work rigorously derives an absorption model that can be used as a source term in a 1D distributed model, conventionally called the diffusion–convection–reaction model. Moreover, computational fluid dynamics simulations are carried out to generate in silico experimental data for quantification of the mass‐transfer coefficient in the absorption model. This model facilitates a better understanding of the intricate influence of intestinal morphology and motility on mass transfer and absorption in the intestine. Rat duodenum featuring a villous structure and pendular movement is selected as an example to demonstrate the capability of this approach.
Phenol biodegradation in a bioreactor considering different geometries and process parameters
Authors: Aghajani Delavar Mojtaba , Wang Junye
Published: April 2023

In this study, a three‐dimensional coupled lattice Boltzmann model and cellular automata platform was developed to simulate biofilm growth and phenol biodegradation as an effective and sustainable way to remove phenolic contaminants in aquatic systems. Two three‐dimensional bioreactors with cubic or spherical obstacles at varying inlet phenol concentrations and flow velocities were examined. The results showed that the cubic‐bioreactor had higher phenol reduction than the spheric‐bioreactor due to the greater effects of cubic obstacles on flow patterns. The biofilm concentration in bioreactors decreased up to 36.4% as inlet velocity increased and in the spheric‐bioreactor at the same inlet phenol concentration. The cubic‐bioreactor had the highest normalized reduction rate of 1.194 at the lowest inlet phenol concentration, while the spheric‐bioreactor had the lowest one of 0.871 at the highest inlet phenol concentration. The results proved the accuracy of the model to assess the performance of wastewater treatment bioreactors under different conditions.
Pontocerebellar hypoplasia associated with p.Arg183Trp homozygous variant in EXOSC1 gene: A case report
Authors: Damseh Nadirah S. , Obeidat Ali N. , Ahammed Khondakar Sayef , Al‐Ashhab Motee , Awad Motee Abu , van Hoof Ambro
Published: April 2023

Pontocerebellar hypoplasia (PCH) is a heterogeneous group of rare neurodegenerative disorders characterized by a wide phenotypic range including severe motor and cognitive impairments, microcephaly, distinctive facial features, and other features according to the type. Several classes of PCH1 have been linked to mutations in the evolutionarily conserved RNA exosome complex that consists of nine subunits (EXOSC1 to EXOSC9) and facilitates the degradation and processing of cytoplasmic and nuclear RNA from the 3′ end. Only a single individual with an EXOSC1 mutation was reported with clinical features of PCH type 1 (PCH1F). Here, we report a 3‐month‐old female with PCH and additional clinical features not previously reported to be associated with PCH1, including dilated cardiomyopathy. On assessment, failure to thrive, microcephaly, distinctive facial features, and bluish sclera, were noted. Whole‐exome sequencing was performed and revealed a novel homozygous missense variant c.547C > T (p.Arg183Trp) in the EXOSC1 gene. Functional studies in a budding yeast model that expresses the human EXOSC1 variant Arg183Trp show a slow‐growth phenotype, whereas the previously identified PCH1F allele EXOSC1‐Ser35Leu is lethal, indicating impaired exosome function for both of these variants. The protein levels of both EXOSC1 variants are reduced compared with wild‐type when expressed in budding yeast. Herein, we ascertain the second case of PCH associated with a EXOSC1 variant that causes defects in RNA exosome function and provide a model organism system to distinguish between benign and pathogenic variants in EXOSC1.
3D printing for virtual surgical planning of nasoseptal flap skull‐base reconstruction: A proof‐of‐concept study
Authors: Kayastha Darpan , Wiznia Daniel , Manes R. Peter , Omay Sacit Bulent , Khoury Tawfiq , Rimmer Ryan
Published: April 2023

Key points

3D printing for virtual surgical planning of nasoseptal flap skull base reconstruction is a viable approach.

Results indicate improved mucosal preservation but further research is needed to define impact on quality of life.
Association of common infections with cognitive performance in the Baltimore Epidemiologic Catchment Area study follow‐up
Authors: Wennberg Alexandra M. , Maher Brion S. , Rabinowitz Jill A. , Holingue Calliope , Felder W. Ross , Wells Jonathan L. , Munro Cynthia A. , Lyketsos Constantine G. , Eaton William W. , Walker Keenan A. , Weng Nan‐ping , Ferrucci Luigi , Yolken Robert , Spira Adam P.
Published: April 2023

Introduction

Growing evidence suggests that some common infections are causally associated with cognitive impairment; however, less is known about the burden of multiple infections.

Methods

We investigated the cross‐sectional association of positive antibody tests for herpes simplex virus, cytomegalovirus (CMV), Epstein‐Barr virus (EBV), varicella zoster virus (VZV), and Toxoplasma gondii (TOX) with Mini‐Mental State Examination (MMSE) and delayed verbal recall performance in 575 adults aged 41–97 from the Baltimore Epidemiologic Catchment Area Study.

Results

In multivariable‐adjusted zero‐inflated Poisson (ZIP) regression models, positive antibody tests for CMV (p = .011) and herpes simplex virus (p = .018) were individually associated with poorer MMSE performance (p = .011). A greater number of positive antibody tests among the five tested was associated with worse MMSE performance (p = .001).

Discussion

CMV, herpes simplex virus, and the global burden of multiple common infections were independently associated with poorer cognitive performance. Additional research that investigates whether the global burden of infection predicts cognitive decline and Alzheimer's disease biomarker changes is needed to confirm these findings.
When High‐Temperature Cesium Chemistry Meets Self‐Templating: Metal Acetates as Building Blocks of Unusual Highly Porous Carbons
Authors: Li Jiaxin , Kossmann Janina , Zeng Ke , Zhang Kun , Wang Bingjie , Weinberger Christian , Antonietti Markus , Odziomek Mateusz , López‐Salas Nieves
Published: April 2023

Self‐templating is a facile strategy for synthesizing porous carbons by direct pyrolysis of organic metal salts. However, the method typically suffers from low yields (<4%) and limited specific surface areas (SSA<2000 m2 g−1) originating from low activity of metal cations (e.g., K+ or Na+) in promoting construction and activation of carbon frameworks. Here we use cesium acetate as the only precursor of oxo‐carbons with large SSA of the order of 3000 m2 g−1, pore volume approaching 2 cm3 g−1, tunable oxygen contents, and yields of up to 15 %. We unravel the role of Cs+ as an efficient promoter of framework formation, templating and etching agent, while acetates act as carbon/oxygen sources of carbonaceous frameworks. The oxo‐carbons show record‐high CO2 uptake of 8.71 mmol g−1 and an ultimate specific capacitance of 313 F g−1 in the supercapacitor. This study helps to understand and rationally tailor the materials design by a still rare organic solid‐state chemistry.
Synthesis and characterization of eco‐friendly poly(ε‐caprolactone) plasticizer facilitating phthalate‐free polyvinyl chloride with novel star/net‐shaped structures
Authors: Dong Xue , Long Mengfei , Liu Hongxia , Gao Ling , Xu Xinjie , Xia Xiaole
Published: April 2023

Potential migration and toxicity limited applications of traditional plasticizers like bis(2‐ethylhexyl) phthalate (DEHP) in food packing and medical machinery and so forth. Safe and feasible bio‐based plasticizers have recently moved into the limelight of research hotspot. Here, we designed series polyester plasticizers of various branches with star‐shaped poly(ε‐caprolactone) (SPCLs) and net‐shaped poly(ε‐caprolactone) (NPCLs) structures by one‐pot solvent‐free synthesis with glycidol and polyglycerol as initiators. Structures of SPCLs and NPCLs were further verified by FTIR, 1H NMR, and 13C NMR. Moreover, the properties of the plasticizers and plasticized PVC were evaluated by differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), thermogravimetric analysis (TGA) and tensile test. PVC films plasticized with the SPCLs or NPCLs exhibited increased plasticizing effect, compatibility, flexibility and cold resistance. The lowest Tg value of plasticized PVC samples (PVC/NPCL1‐C4) was −45.3°C, which made the plasticization efficiency reach 122.5%. In particular, PVC/SPCLs‐C4 (SPCL2‐C4) had 107% higher elongation at break than PVC/DEHP. Meanwhile, the initial decomposition temperature Ti value of the PVC blends maximum increased from 240 to 328°C when DEHP was completely replaced by SPCLs or NPCLs, indicating improved thermal stability of the plasticizer. Overall, “green” plasticizers with fining topological branch design would be promising to partially replace petroleum‐based plasticizers.
Facile Hydrogenation of Furfural by MOF‐Derived Graphitic Carbon Wrapped FeCo Bimetallic Catalysts
Authors: Nasiruzzaman Shaikh M. , Ali Muhammad , Abdelnaby Mahmoud M. , Hakeem Abbas S. , Sanhoob Mohammed , Alghamdi Huda S. , Ajeebi Afnan M. , Aziz Md. Abdul
Published: April 2023

A catalytic system for selective transformation of furfural into biofuel is highly desirable. However, selective hydrogenation of the C=O group over the furan ring of furfural to produce ether in one step is challenging. Here, we report the preparation of a series of magnetically recoverable FeCo@GC nano‐alloys (37–40 nm). Fe3O4 (3–5 nm) and MOF‐71 (Co), used as the Co and C source, were mixed together in a range of Fe/Co ratios, and then encapsulated in a graphitic carbon (GC) shell to prepare such alloys. STEM‐HAADF shows the darker core made of FeCo and the shell of graphitic carbon. Furfural is hydrogenated to produce >99% isopropyl furfuryl ether in isopropanol with >99% conversion at 170 °C under 40 bars of H2, whereas n‐chain alcohol, such as ethanol, produces corresponding ethyl levulinate in 93%. The synergistic effect due to the charge transfer from Fe to Co leads to higher reactivity of FeCo@GC. The catalyst, which can be separated from the reaction medium using a simple magnet without significant damage to the surface or composition, retained its reactivity and selectivity for up to four consecutive cycles.
Emissivität von Zink‐Aluminiumüberzügen unter Brandlast und Wirkung auf den Feuerwiderstand
Authors: Pinger Thomas , Mensinger Martin , Firan Maria‐Mirabela
Published: April 2023

In jüngerer Vergangenheit wurde bei klassisch feuerverzinkten Stahlbauteilen eine reduzierte Emissivität unter Brandbelastung nachgewiesen, die sich im Zuge der Heißbemessung gemäß DIN EN 1993‐1‐2 als vorteilhaft gegenüber einem ungeschützten Bauteil erweist. Im Zuge weiterführender Untersuchungen wurde nun die Emissivität von modernen Zink‐Aluminiumüberzügen, die sich durch eine in Abhängigkeit vom Aluminiumgehalt von den standardmäßigen Überzügen abweichende Schichtcharakteristik auszeichnen, anhand von Kleinteilproben bestimmt, wobei verschiedene Konfigurationen abgeprüft wurden. Im Ergebnis zeigt sich über alle Varianten, dass ZnAl‐Überzüge eine gegenüber Reinzink‐ bzw. quasireinen Zinküberzügen nochmals verbesserte, insbesondere bei höheren Temperaturen reduzierte Emissivität aufweisen. Bei Anwendung derselben zeigt sich die positive Wirkung auf den Feuerwiderstand von mit ZnAl‐Schmelzen verzinkten Stahlkomponenten in Form einer verzögerten Aufwärmung und damit einer im Zuge der Heißbemessung ermittelten höheren Tragfähigkeit unter Brandbelastung bzw. das Potenzial zur Reduzierung des Stahlprofilquerschnitts und damit zur Ressourceneinsparung in einer relevanten Größenordnung.
Neural tube defects: Prevalence, mortality, and maternal characteristics in two departmental hospitals in the northwestern region of Nicaragua, 2006–2018
Authors: Pastora Bucardo Dania María , González Fredman , Montes Pastora María , Pimienta Ramirez Paula Andrea , Bonilla Indiana López , Vielot Nadja A , Finnell Richard H.
Published: April 2023

Background

Congenital anomalies are the fifth most common cause of neonatal mortality in Nicaragua, and neural tube defects (NTDs) are the most common of all cases of lethality associated with a birth defect. Prevalence and mortality estimates are needed to propose effective intervention strategies that prevent NTDs over time.

Methods

A cross‐sectional study was carried out in northwestern Nicaragua from January 2006 to December 2018. All cases of NTDs (anencephaly, spina bifida, and encephalocele) were registered in hospital surveillance systems, and the medical histories of the mothers and newborns were reviewed. Prevalence was calculated by considering the number of live births and stillbirths older than 20 weeks of gestation with NTDs, divided by the total number of live births and stillbirths in each study year. Neonatal mortality rate (NMR) for NTD, and case fatality for spina bifida was calculated.

Results

Two hundred fifty cases of NTDs were identified from 178,498 deliveries (177,316 live births and 1,182 stillbirths). The prevalence of NTDs during this time period was 14.01 (95% CI: 12.27–15.74) per 10,000 births. The prevalence of spina bifida (n = 140), anencephaly (n = 97), and encephalocele (n = 13) was 7.84, (95% CI: 6.54–9.14), 5.43 (95% CI: 4.30–6.45), and 0.73 (95% CI: 0.33–1.12) per 10,000 births, respectively. Mothers with fetus or newborns affected with NTDs did not use folic acid prior to conception, and 11% experienced periods of hyperthermia during the first trimester of pregnancy. NMR for NTDs was 0.55 per 1.000 livebirths. Case fatality for all NTDs and for spina bifida were 55% and 18%, respectively.

Conclusion

The prevalence and mortality of NTDs in the northwestern region of Nicaragua present peaks and troughs during the study period. Spina bifida was the most frequent type of NTD. We believe that these findings could be of use by health policy makers to strengthen the primary prevention of NTDs in the region through the monitoring of the food fortification policy and folic acid supplementation to women of childbearing age. Additional etiologic studies of NTDs should be considered to identify additional prevention measures.
Towards a scalable bioprocess for rAAV production using a HeLa stable cell line
Authors: Escandell José , Moura Filipa , Carvalho Sofia B. , Silva Ricardo J. S. , Correia Ricardo , Roldão Antonio , Gomes‐Alves Patrícia , Alves Paula M.
Published: April 2023

The majority of recombinant adeno‐associated viruses (rAAV) approved for clinical use or in clinical trials areproduced by transient transfection using the HEK293 cell line. However, this platform has several manufacturing bottlenecks at commercial scales namely, low product quality (full to empty capsid ratio <20% in most rAAV serotypes), lower productivities obtained after scale‐up and the high cost of raw materials, in particular of Good Manufacturing Practice grade plasmid DNA required for transfection. The HeLa‐based stable cell line rAAV production system provides a robust and scalable alternative to transient transfection systems. Nevertheless, the time required to generate the producer cell lines combined with the complexity of rAAV production and purification processes still pose several barriers to the use of this platform as a suitable alternative to the HEK293 transient transfection. In this work we streamlined the cell line development and bioprocessing for the HeLaS3‐based production of rAAV. By exploring this optimized approach, producer cell lines were generated in 3‐4 months, and presented rAAV2 volumetric production (bulk) > 3 × 1011 vg/mL and full to empty capsids ratio (>70%) at 2 L bioreactor scale. Moreover, the established downstream process, based on ion exchange and affinity‐based chromatography, efficiently eliminated process related impurities, including the Adenovirus 5 helper virus required for production with a log reduction value of 9. Overall, we developed a time‐efficient and robust rAAV bioprocess using a stable producer cell line achieving purified rAAV2 yields > 1 × 1011 vg/mL. This optimized platform may address manufacturing challenges for rAAV based medicines.
“Organized stress” for robust scale‐up of intensified production process with fed‐batch seed bioreactor
Authors: Ben Yahia Bassem , Piednoir Antoine , Dahomais Thomas , Eggermont Stefanie , Paul Wolfgang
Published: April 2023

Process intensification has been widely used for many years in the mammalian biomanufacturing industry to increase productivity, agility and flexibility while reducing production costs. The most commonly used intensified processes are operated using a perfusion or fed‐batch seed bioreactor enabling a higher than usual seeding density in the fed‐batch production bioreactor. Hence, as part of the growth phase is shifted to the seed bioreactor, there is a lower split ratio, which increases the criticality of the seed bioreactor and could impact production performance. Therefore, such intensified processes should be designed and characterized for robust process scale‐up. This research work is focused on intensified processes with high seeding density inoculated from seed bioreactor in fed‐batch mode. The impact of the feeding strategy and specific power input (P/V) in the seed bioreactor and on the production step with two different cell lines (CL1 and CL2) producing two different monoclonal antibodies was investigated. Cell culture performance in the production bioreactor has been improved due to more stressful conditions for the cells in the seed bioreactor and the impact of the production bioreactor P/V on the production performance was limited. This is the first reported study highlighting a positive impact of cellular stress in seed bioreactors on intensified production bioreactor with the introduction of the “organized stress” concept.
Genetic Diversity Assessment of Spanish and Some Endangered Tunisian Pea (Pisum sativum L.) Accessions Based on Microsatellite Markers (SSRs)
Authors: Mohamed Amina , García‐Martínez Santiago , Carbonell Pedro , José Ruiz Juan , Loumerem Mohamed
Published: April 2023

In the current investigation, 28 accessions of Spanish and Tunisian peas were characterized by eight SSR polymorphic markers to assess their genetic diversity. Many methods have been applied to evaluate these relationships including diversity indices, analysis of molecular variance, cluster analysis, and population structure. The means of diversity indices, the polymorphism information content (PIC), the allelic richness, and the Shannon information index were 0.51, 3.87, and 0.9, respectively. These results revealed a large polymorphism (84.15 %) which produced a higher degree of genetic distance amongst the accessions. The unweighted pair group approach with arithmetic mean divided the collection of these accessions into three major genetic clusters. Therefore, this article has clearly demonstrated the usefulness of the SSR markers that can significantly contribute to the management and conservation of pea germplasm in these countries, as well as to future reproduction.
Extraction, Distribution and Diversity of Phenolic Compounds in Most Widespread Boraginaceae Species from Macedonia
Authors: Petreska Stanoeva Jasmina , Stefova Marina , Matevski Vlado
Published: April 2023

A systematic study of extraction efficiency of polyphenolic compounds from the most widespread Boraginaceae species was carried out. The optimal extraction was achieved with 50 % (V/V) methanol for phenolic acids and flavonoids, 0.2 % (V/V) HCl in 50 % (V/V) methanol for anthocyanins and pure water for flavan‐3‐ols. The distribution and diversity of polyphenolic compounds in plant material obtained from wild‐growing Anchusa officinalis, Cynoglossum creticum Mill., Echium vulgare, Echium italicum, and Onosma heterophylla Griseb. species from Macedonia was also assessed. These widespread Boraginaceae species contain phenolic acid derivatives, flavonoids, flavan‐3‐ols and anthocyanins and in total 31 of them were identified, from which 22 were first identified in the representative species, and 6,8‐di‐C‐glucosides of apigenin and luteolin were identified for the first time in Boraginaceae. The profiles of polyphenolic compounds for each sample were obtained and their phytochemical profile established. The potential for further bioactivity studies of Anchusa officinalis and Cynoglossum creticum containing up to 24577.05 μg/g and 14304.15 μg/g of total polyphenols were assumed to be highest, followed by Echium vulgare (from 6382.61 to 14114.33 μg/g), Onosma heterophylla (9463.97 μg/g) and Echium (4108.14 μg/g).
Contribution of Constituents in Rosemary‐Magnolia Compound Essential Oil to Antibacterial, Antioxidant and Cytotoxicity Bioactivities Revealed by Grey Correlation Analysis
Authors: Song Yukun , Li Zongyang , Zhang Panpan , Jiao Qiang , Gu Ruili , Qu Lingxuan , Huang Shan , Wang Xiao , Liu Yue , Lai Yong , Ding Shen , Chen Yuanyuan , Li Mingwan , Zhang Dangquan
Published: April 2023

The compound of essential oils (EOs) is a key approach to achieving the superimposed efficacy of plant EOs. In this article, grey correlation analysis was applied for the first time to explore the compound ratios and contribution between constituents and the bioactivity of the compound EOs. There were 12 active constituents shared in rosemary and magnolia EOs prepared by negative pressure distillation. With different proportions, these two EOs were blended and analyzed for the antioxidant, bacteriostatic and antitumor effects. According to the results of the inhibition circle, minimum bactericidal and inhibitory concentration, the most obvious inhibition effect of the compound EOs on different strains of bacteria was shown in Staphylococcus aureus. The results of antioxidant test showed that single EO from rosemary had the best antioxidant effect, and its EO content was directly proportional to the antioxidant effect. The cytotoxicity results showed that, there was a significant difference in the lethality of the compound EOs between tumor cells Mcf‐7 (human breast cancer cells) and SGC‐7901 cells (human gastric cancer cells). Furthermore, single EO from magnolia had an obvious inhibitory effect on the growth of Mcf‐7 cells and SGC‐7901 cells, and the cell lethality rate was as high as 95.19 % and 97.96 %, respectively. As the results of grey correlation analysis, the constituents with the maximal correlation of inhibitory effects on bacteria were as follows: S. aureus – Terpinolene (0.893), E. coli – Eucalyptol (0.901), B. subtilis – α‐Pinene (0.823), B. cereus – Terpinolene (0.913) and Salmonella – α‐Phellandrene (0.855). For the ABTS and DPPH scavenging effects, the constituents with the maximal correlation were (−)‐Camphor (0.860) and β‐Pinene (0.780), respectively. In terms of the effects of the active constituents of compound EOs on the inhibitory activities of tumor cells Mcf‐7 and SGC‐7901, the three active constituents of γ‐Terpinene, (R)‐(+)‐β‐Citronellol and (−)‐Camphor were in the top three, and their correlation were Mcf‐7 (0.833, 0.820, 0.795) and SGC‐7901 (0.797, 0.766, 0.740). Our study determined the contribution degree of active constituents in the antibacterial, antioxidant, and antitumor bioactivities of rosemary‐magnolia compound EOs, and also provided new insights for the research of EOs combination formulations.
Synthesis, Biological Activity Evaluation, Docking and Molecular Dynamics Studies of New Triazole‐Tetrahydropyrimidinone(thione) Hybrid Scaffolds as Urease Inhibitors
Authors: Rezvanpoor Sadaf , Shakour Neda , Ahangarzadeh Nazli , Bakherad Hamid , Sepehri Saghi , Farhadi Ghazaleh , Hosein Pakdel Mohammad , Iranshahi Mehrdad
Published: April 2023

New series of triazole‐tetrahydropyrimidinone(thione) hybrids (9a–g) were synthesized. FT‐IR, 1H‐NMR, 13C‐NMR, elemental analysis and mass spectroscopic studies characterized the structures of the synthesized compounds. Then, the synthesized compounds were screened to determine the urease inhibitory activity. Methyl 4‐(4‐((1‐(2‐chlorobenzyl)‐1H‐1,2,3‐triazol‐4‐yl)methoxy)phenyl)‐6‐methyl‐2‐thioxo‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate (9c) exhibited the highest urease inhibitory activity (IC50=25.02 μM) among the compounds which was almost similar to thiourea as standard (IC50=22.32 μM). The docking study of the screened compounds demonstrated that these compounds fit well in the urease active site. Based on the docking study, compound 9c with the highest urease inhibitory activity showed chelates with both Ni2+ ions of the urease active site. Moreover, the molecular dynamic study of the most potent compounds showed that they created important interactions with the active site flap residues, His322, Cys321, and Met317.
Physicochemical and functional properties of canaryseed (Phalaris canariensis L.) with and without spicules flour
Authors: Rikal Luis I. , de Figueiredo Ana K. , Riccobene Isabel C.
Published: April 2023

Background and Objective

Glabrous canaryseed flour is a novel ingridient with potential uses in the food industry. The objective of this study was to characterize and compare the physicochemical and functional properties of canaryseed (Phalaris canariensis L.) flours of the glabrous (without spicules) CDC Togo variety (whole and white flour, T and TW, respectively) and a traditional commercial variety (CW, white flour).

Findings

Scanning electron microscopy of the grains showed the glabrous nature of the T variety and the spicules present in the C variety. All the flours showed a high protein content (16.16%–25.49% dry basis [d.b.]), color tending to yellowish tones, and a predominant lipophilic behavior (oil‐holding capacity > water‐holding capacity). Dehulling of the CDC Togo seeds significantly altered some of the flour's properties. Particle size decreased by 23%, and protein and oil contents were 43% and 26% higher, respectively. TW flour also had a significantly lower color saturation, water‐holding capacity, oil‐holding capacity, water‐absorption capacity, and organic molecule absorption capacity when compared to T flour.

Conclusions

The results indicate the potential use of canaryseed grains as a raw material for novel food products.

Significance and Novelty

This study presents novel data on the properties of canaryseed flour of the glabrous CDC Togo variety, about which no information has been found. As well as on canaryseed flour from a traditional (nonglabrous) variety.
Trauma informed use of the career construction interview
Authors: Stoltz Kevin B. , Hunt Andrea N. , Greenhill Clay
Published: April 2023

The utilization of the Career Construction Interview (CCI) is advancing throughout the career counseling field. The narrative social constructivist approach assists clients in accentuating and narrating a personal career story that highlights attitudes, skills, and behaviors for their career planning and development. The CCI is recommended for use across diverse cultures and groups. However, more insight is needed into how career counselors can use the CCI to implement a trauma‐informed approach and reduce the risk of re‐traumatization. This article presents an review of trauma in career counseling, the CCI, and trauma‐specific considerations for diverse populations that present for career counseling. Next, the authors present questions from the CCI and how trauma may affect the responses to these questions. Alternative prompts are provided that align with the original purposes of these questions and provide similar storied responses to aid the client in building a useful narrative for career development. Additionally, the authors present a brief case example implementing these alternative prompts and their effectiveness in application.
Proteine aufreinigen mittels Chromatographie
Authors: Fichtner Hannah , Geue Niklas , Wunsch Jonas Florian
Published: April 2023

Die Aufgabe in dieser Knobelecke gibt Einblicke in die Toolbox der Biochemie: Wir stellen das allgemeine Prinzip der Chromatographie und die zur Proteinaufreinigung wichtigen Methoden der Größenausschluss‐, Affinitäts‐ und Ionenaustauschchromatographie vor.
Highly Conductive Poly(Imide–Imine) Hybrid Vitrimer‐Graphene Aerogel Composites†
Authors: Ma Yunlong , Li Ruiyang , Luo Shichang , Shen Xiran , Tao Rao , Jin Yinghua , Zhang Wei , Qiu Li
Published: April 2023

Comprehensive Summary

Although polyimides (PIs) have shown great potential for a broad range of applications, it remains very challenging to achieve the malleability, rehealability and recyclability for PIs and their composites targeting various applications, particularly for the rapidly emerging flexible and stretchable electronics. Herein, malleable conductive poly(imide‐imine) hybrid (PIIH) vitrimer‐graphene aerogel (GA) composites have been prepared, for the first time, via simple sol‐gel film formation followed by heat‐press. The resulting PIIH‐GA composites exhibit not only the highly desired properties of thermosetting (strong mechanical strength) and thermoplastic (reprocessability) polymers, but also good conductivity enabled by the GA filler. PIIH3‐GA‐10 (with 10 wt% GA) showed one of the highest electrical conductivities (26.7 S/m) for PI‐based composites, as well as good electromagnetic interference (EMI) shielding performance. Moreover, the PIIH‐GA films could maintain good performance during stretching and even after chemical recycling, which opens new opportunities for flexible and sustainable electronics development.
Eu3+ Coordinated Hyperbranched Polysiloxane with Multicolor Emission and Long Fluorescence Lifetime†
Authors: Feng Weixu , Yan Lirong , Yan Hongxia , Tian Wei
Published: April 2023

Comprehensive Summary

Hyperbranched polysiloxanes have attracted increasing interest due to their unique fluorescence properties. However, the relatively short emission wavelength and low fluorescence lifetime are still the main obstacles to their broader application. In this study, we first synthesized a β‐diketone contained hyperbranched polysiloxane with excitation‐dependent multicolor emission. Further through the coordination of HBPSi‐NMDEA with Eu3+ ion, a hybrid luminescent material was prepared. It exhibited not only aggregation‐induced red emission at 613 nm, but also a long fluorescence lifetime of 681.45 μs. Particularly, it showed highly sensitive reversible fluorescence response to temperature variation, thus displaying the potential to be used in fluorescence temperature detection.
Cold‐Resistant Rubbers Based on Flexible Polymer Chains
Authors: Wu Lianfeng , Liao Shenglong , Wang Yapei
Published: April 2023

Comprehensive Summary

As one of the three types of polymeric materials, rubber has played an irreplaceable role in various fields such as industrial production, aerospace, military, and national defense. Improving the cold resistance of rubbers and extending their service temperature range have always been one of the main focuses in rubber research. However, there have been few detailed public reports or literatures on the progress or summary of cold‐resistant rubbers, creating an invisible barrier for new researchers wishing to enter this field of research. Therefore, starting from the basis of polymer physics, this review introduces the research difficulties in this field and systematically summarizes the research progress in constructing cold‐resistant rubbers based on three different types of flexible polymer chains in recent years. In addition, several important properties of cold‐resistant rubbers including mechanical performance, oil resistance, and self‐healing ability are also discussed along with the summary of recent progresses. Finally, the future challenges and prospects of cold‐resistant rubbers are discussed. It is hoped that this review will attract more attentions from polymer or material scientists, thus activating the fundamental research in the field of cold‐resistant rubber and promoting its practical application.
Synthesis of Piperazic Acid‐Containing Cyclodepsipeptide Core of Verucopeptin
Authors: Sun Yuanjun , Tang Wenhao , Wang Mei , Ni Huxin , Long Ya‐Qiu
Published: April 2023

Comprehensive Summary

Chemically, N1 nitrogen of piperazic acid is more nucleophilic than N2 nitrogen, but amide bonds predominantly formed at N2 nitrogen are prevalent in piperazic acid‐containing natural products, with only one exception of sanglifehrin. Thus two orthogonal protecting groups of nitrogen are often employed to realize selective coupling of N2 nitrogen, resulting in increased synthetic steps and low synthetic efficiency. However, we develop selective deprotection of N2‐Cbz from the N1,N2‐diCbz‐piperazic acid‐containing peptide to form the N2 amide exclusively, avoiding the tedious orthogonal protection strategy which is commonly applied when the easily‐accessible N1,N2‐diCbz‐piperazic acid is used as the synthetic module. We employ this selective‐deprotection strategy to achieve an efficient synthesis of piperazic acid‐containing cyclodepsipeptide core of verucopeptin with an overall yield of 21% from commercially/readily available building blocks. The key steps include late stage coupling of piperazic acid with 3‐hydroxyleucine derivatives, and HATU‐mediated macrolactamization of 19‐membered macrocycle at N9 and C10. The selective deprotection of N2‐Cbz from the N1,N2‐diCbz‐piperazic acid at late‐stage would greatly facilitate the total syntheses of piperazic acid‐containing cyclodepsipeptides of biological interest.
Electrophotocatalytic Reductive 1,2‐Diarylationof Alkenes with Aryl Halides and Cyanoaromatics
Authors: Zeng Liang , Qin Jing‐Hao , Lv Gui‐Fen , Hu Ming , Sun Qing , Ouyang Xuan‐Hui , He De‐Liang , Li Jin‐Heng
Published: April 2023

Comprehensive Summary

The radical‐mediated reductive functionalization of aryl halides has been extensively studied. However, the related radical‐mediated intermolecular reductive 1,2‐diarylation of alkenes, using aryl halides as aryl radical sources, remains unexplored. Herein, a new electrophotocatalytic intermolecular reductive 1,2‐diarylation of alkenes is reported using aryl halides and cyanoaromatics to produce polyarylated alkanes. Using synergistic cathodic reduction and visible‐light photoredox catalysis, various electron‐rich and electron‐deficient aryl halides are combined with various alkenes and cyanoaromatics to characterize the broad substrate scope, excellent functional group compatibility, and excellent selectivity of this reaction. Mechanistic investigations reveal that this reaction may proceed via a radical process initiated by the reductive generation of aryl radicals from aryl halides and terminated by radical‐radical coupling with cyanoaromatic radical anions.
Dronedarone versus sotalol in patients with atrial fibrillation: A systematic literature review and network meta‐analysis
Authors: Singh Jagmeet P. , Blomström‐Lundqvist Carina , Turakhia Mintu P. , Camm A. John , Fazeli Mir Sohail , Kreidieh Bahij , Crotty Christopher , Kowey Peter R.
Published: April 2023

Background

There are limited comparative data on safety and efficacy within commonly used Vaughan‐Williams (VW) class III antiarrhythmic drugs (AADs) for maintenance of sinus rhythm in adults with atrial fibrillation (AF).

Hypothesis

We hypothesized that dronedarone and sotalol, two commonly prescribed VW class III AADs with class II properties, have different safety and efficacy effects in patients with nonpermanent AF.

Methods

A systematic literature review was conducted searching MEDLINE®, Embase, and Cochrane Central Register of Controlled Trials (CENTRAL) up to June 15, 2021 (NCT05279833). Clinical trials and observational studies that evaluated safety and efficacy of dronedarone or sotalol in adults with AF were included. Bayesian random‐effects network meta‐analysis (NMA) was used to quantify comparative safety and efficacy. Where feasible, we performed sensitivity analyses by including only randomized controlled trials (RCTs).

Results

Of 3581 records identified through database searches, 37 unique studies (23 RCTs, 13 observational studies, and 1 nonrandomized trial) were included in the NMA. Dronedarone was associated with a statistically significantly lower risk of all‐cause death versus sotalol (hazard ratio [HR] = 0.38 [95% credible interval, CrI: 0.19, 0.74]). The association was numerically similar in the sensitivity analysis (HR = 0.46 [95% CrI: 0.21, 1.02]). AF recurrence and cardiovascular death results were not significantly different between dronedarone and sotalol in all‐studies and sensitivity analyses.

Conclusion

The NMA findings indicate that, across all clinical trials and observational studies included, dronedarone compared with sotalol was associated with a lower risk of all‐cause death, but with no difference in AF recurrence.
A DFT+U Study of CO and H2 Adsorption Properties on Ga, Li, and Cu Doped ZnO Surfaces
Authors: Viet Thang Ho
Published: April 2023

Doping heteroatoms is an efficient method for enhancing the electronic properties of ZnO materials in order to apply them to the desired applications. This study compares the effect of various dopant metals on the electronic and adsorption properties of ZnO
using DFT+U calculations. Metal dopants including n‐type Ga (IIIA metal), p‐type Li (IA metal), and equivalent valance metal Cu are thought to be substituted in the Zn lattice at both the surface (Znsur) and subsurface (Znsub) sites. To evaluate the electronic structure of doped ZnO
and the adsorption properties of CO and H2 on doped ZnO
, the Bader charge, density of state, spin density, charge density difference, adsorption energy, and vibrational frequency are calculated. The computed findings demonstrate that, among the investigated dopants, Cu dopant significantly enhances the adsorption characteristics of ZnO materials. This research will be useful in designing appropriate materials for adsorption and catalytic applications.
The Impact of Longitudinal Data‐Completeness of Electronic Health Record Data on the Prediction Performance of Clinical Risk Scores
Authors: Jin Yinzhu , Weberpals Janick G. , Wang Shirley V. , Desai Rishi J. , Merola David , Lin Kueiyu Joshua
Published: April 2023

The impact of electronic health record (EHR) discontinuity (i.e., receiving care outside of a given EHR system) on EHR‐based risk prediction is unknown. We aimed to assess the impact of EHR‐continuity on the performance of clinical risk scores. The study cohort consisted of patients aged ≥ 65 years with ≥ 1 EHR encounter in the 2 networks in Massachusetts (MA; 2007/1/1–2017/12/31, internal training and validation dataset), and one network in North Carolina (NC; 2007/1/1–2016/12/31, external validation dataset) that were linked with Medicare claims data. Risk scores were calculated using EHR data alone vs. linked EHR‐claims data (not subject to misclassification due to EHR‐discontinuity): (i) combined comorbidity score (CCS), (ii) claim‐based frailty score (CFI), (iii) CHAD2DS2‐VASc, and (iv) Hypertension, Abnormal renal/liver function, Stroke, Bleeding, Labile, Elderly, and Drugs (HAS‐BLED). We assessed the performance of CCS and CFI predicting death, CHAD2DS2‐VASc predicting ischemic stroke, and HAS‐BLED predicting bleeding by area under receiver operating characteristic curve (AUROC), stratified by quartiles of predicted EHR‐continuity (Q1‐4). There were 319,740 patients in the MA systems and 125,380 in the NC system. In the external validation dataset, AUROC for EHR‐based CCS predicting 1‐year risk of death was 0.583 in Q1 (lowest) EHR‐continuity group, which increased to 0.739 in Q4 (highest) EHR‐continuity group. The corresponding improvement in AUROC was 0.539 to 0.647 for CFI, 0.556 to 0.637 for CHAD2DS2‐VASc, and 0.517 to 0.556 for HAS‐BLED. The AUROC in Q4 EHR‐continuity group based on EHR alone approximates that based on EHR‐claims data. The prediction performance of four clinical risk scores was substantially worse in patients with lower vs. high EHR‐continuity.