bluuebunny/crossref_metadata_2025 huggingface dataset:
Economics Evaluation of Ecological Services of Some Aquatic Ecosystems in Badagry Division, Lagos, Nigeria
Authors: Anetekhai M. A. , Mekuleyi G. O. , Aderinola O. J.
Published: July 2022

Aquatic ecosystem has vast resources and ecological functions, however the economic worth of its services are often ignored. This study appraised the value of ecological services offered by some aquatic ecosystem (Gbaji, Agboju, Topo and Ajegunle) in Badagry Division, Lagos, Nigeria in relation to the current physical and chemical status of these habitats. Data were collected via random administration of structured questionnaires to 168 households across the stations. Methods employed for collection of information include stated preference, divulged preference and market value approaches. Data collected were tested by one-way Analysis of Variance while differences in mean were separated using Least Significant Difference (p=0.05). Results showed that the highest mean annual income from irrigation for farming (#55,730 ±9,156.6), wage/salary for Boat builder/Net maker (#182, 265.4 ±11,655), water for domestic purpose (#64,256 ±16,426.5), water for washing body or clothes (#54,119.2 ±9,642.4), and industrial/domestic waste (#500,658 ±25,600) were obtained from Ajegunle station. On the other hand, highest mean annual income gotten from ecological services at Gbaji station includes fishing (#351,440 ±15,680), fish for sale (#312, 618 ±26,465.5), Wood and wood product (#59,387±10,792), medicinal plants (#18,116 ±7,680), firewood for sale (#56, 456.9 ±14,316.5), firewood for cooking (#24,145 ±6,425), livestock watering (#235,385 ±35,617) and religion rites (#70,528 ±16,178). Agboju station had highest income in sand for sales (#135,126 ±34,124), transportation (#728,358 ±48,526), sand for construction (#67,426.8 ±5,392.9), and research purpose (#30,200 ±3,390). Topo station had peak (#45, 828.2± 12,654.6) estimated values on fish for household feeding. In comparison of estimated income with hectares of the water bodies, the productivity was in the order of Agboju > Topo > Gbaji> Ajegunle. In conclusion, the water bodies contributed significantly to the household economy of the local people and hence, it is important to protect and improve its management for livelihood enhancement, and secure their long-term ecological functions.
Growth Dynamics and Yield of Zero-Till Maize as Influenced by Microbial Consortia Treated Paddy Residue Incorporation
Authors: Rajitha G. , Padmaja B. , Reddy M. Malla , Madhavi A. , Reddy S. Narender , Triveni S. , Yakadri M.
Published: July 2022

A field experiment was conducted at College farm, Professor Jayashankar Telangana State Agricultural University, Rajendranagar, Hyderabad during 2020-21 and 2021-22 to assess the influence of paddy residue management practices at different fertility levels on certain growth parameters and the yield of rabi maize succeeding kharif rice in a strip plot design. The growth analysis indicated that the leaf area index, crop growth rate, net assimilation rate and leaf area duration remained the same with residue management practices at 0-30 DAS and 30-60 DAS but between 60 DAS-harvest, maize leaf area index (LAI), crop growth rate (CGR), net assimilation rate (NAR) and leaf area duration (LAD) was significantly increased by incorporation of crop residues treated with microbial consortia and SSP. Different fertility levels affected leaf area index, crop growth rate and leaf area duration at all the growth intervals whereas net assimilation rate remained unaffected. Interaction effect of residue management practices and fertility levels on leaf area index, crop growth rate, net assimilation rate and leaf area duration was found non significant at 0-30 DAS and 30-60 DAS, while at 60 DAS-harvest integration of residues and microbial consortia along with chemical fertilizers resulted in a significant increase of LAI, CGR and LAD with no significant improvement in NAR. In 2020-21 and 2021-22, the grain yield and straw yield were higher in the incorporation of crop residues treated with microbial consortia and single super phosphate (SSP) in combination with 125 % recommended dose of fertilizers (RDF) which was on par with 100% RDF and 75 % RDF and was significantly superior over other treatments.
Studies on Genetic Variability and Character Association in Fennel (Foeniculum vulgare Mill.)
Authors: Patidar Ashutosh , Singh Devi
Published: July 2022

Aim: To study the genetic variability and character association in fennel.

Study Design: Randomised Complete Block Design (RCBD).

Place and Duration of Study: Horticultural Research Farm, Department of Horticulture, Naini Agricultural Institute, SHUATS, Prayagraj. Between November 2021 to April 2022.

Methodology: 10 genotypes of fennel were sown in three replications in RCB design. In each replication data were observed on five plants and averaged for all twelve characters under study.

Results: Analysis of variance showed the presence of significant variation among different genotypes for all characters studied. Number of primary branches per plant and seed yield per hectare exhibited moderate estimates of GCV and PCV and also High estimates of Heritability (Broad-sense). Positive and significant correlation was observed for number of umbels per plant, number of umbellets per umbel, number of seeds per umbel, seed yield per hectare and seed index with seed yield per plant at both phenotypic and genotypic level. Path Coefficient analysis revealed that days to maturity, number of primary branches per plant, number of seeds per umbel, seed index and harvest index had direct positive effect on seed yield per plant at genotypic level. While days to 50% flowering, days to maturity, number of umbels per plant, number of umbellets per umbel, number of seeds per umbel, seed yield per hectare and seed index had direct positive effect on seed yield per plant at phenotypic level.

Conclusion: Selection in these traits will lead to higher efficiency in breeding programme for improving yield. Thus these traits may be ranked as most important attributing traits for seed yield per plant in fennel.
Study of Cognitive Function in Patients with Chronic Obstructive Pulmonary Diseases
Authors: El-Enein Eman Abdel Hakim Abo , El-Kolally Reham Mohammed , El-Raouf Issa Mai Abd , Attia Ghada Atif
Published: July 2022

Backgrounds: Cognitive impairment is a frequent feature of COPD, so Cognitive function study should be a part of the initial respiratory assessment in COPD patients especially for those patients presenting with evident or self-reporting symptoms of cognitive deficit.

Objectives: The aim of our work was to study the cognitive function among COPD patients by using specific cognitive function tests and to assess the validity of these tests in detecting this impairment among COPD population.

Subjects and Methods: A cross sectional observational study was carried out on 100 patients with COPD diagnosed according to Global initiative for Chronic Obstructive Lung Disease [1]  Subjects of the study were selected from Chest Department Outpatients Tanta University Hospitals and Mansoura Chest Hospital Outpatients between March 2019 and November 2020. They were divided into three groups; group I including 34 grade II COPD patients, group II including 32 grade III COPD patients and group III including 34 grade IV COPD patients.

Results:  Half of group III patients had severe cognitive impairment compared to 34.4% among group II patients and 26.5% among group I patients with a statistically significant differences in the MMSE between the three studied groups. (x2 =9.699, p=0.015). Group III patients had 29.4% with severe impairment, while group II had 34.4% and group, I had 17.6% with severe impairment with a statistically significant difference in digit symbol test distribution between different studied groups. As regards to Trail A and B tests, group III had high percent impaired test results, compared to group I and II with a statistically significant differences in its distribution between the different studied groups. As regards to Digit Span Tests A and B, there was no statistically significant difference in its distribution between different studied groups.

Conclusions: The Mini Mental State Examination Test may be used as a part of the initial respiratory assessment to give an idea about the cognitive state of the patient and if the patient needs more care for his cognitive status or not.
Inhibiting and Enhancing Effects on DNA Repair of Rare Metal Elements in Cultured Human Lymphoblastoid Cells
Authors: Sasaki Ayaka , Hayashi-Shita Satomi , Nakamura Takanori , Kikuchi Yasuaki , Elizabeth Galbreath Hannah , Matsumoto Katsutoshi , Hasegawa Akira , Saito Takayuki , Sato Kumiko , Honma Tetsuo , Yamamoto Ayumi , Arai Hirotada , Kadoma Yoshihiro , Kawaguchi Satomi , Furuya Kazuyuki , Kobune Marina , Sasaki Yu F.
Published: July 2022

Along with increasing relevance of rare earth (RE) elements in industrial technology, the risk of their environmental release and occupational exposure on human health is of concern. Although many toxicological studies were reported for REs, it is not known how they affect DNA repair. In this study, the effects on DNA repair of all RE ions except radioactive promethium (Pm) were studied. Human lymphoblastoid WTK1cells were irradiated to UV followed by 2h exposure to each RE with and without DNA repair inhibitor cytosine-1β-D- arabinofuranoside (araC), and then single strand breaks (SSBs) were detected by the comet assay. UV-induced pyrimidine dimers are removed by nucleotide excision repair (NER) which consists of recognition of the DNA lesion, excision of a 24–32 nucleotide stretch containing the lesion by dual incision of the damaged DNA strand on both sides, and re-synthesis of the resulting gap by DNA polymerase, and ligation of the nick. SSBs are generated in the incision step of nucleotide excision repair (NER) and disappear in the re-synthesis step of NER. Seven REs, Yb, Lu, Dy, Er, Sc, Pr, and Ce, enhanced comet positive response without araC but not with araC, suggesting that araC is antagonistic to the 7 REs. Since araC inhibits re-synthesis of NER, these seven REs would inhibit the re-synthesis step of NER. Six REs, Tm, Sm, Tb, Gd, Eu, and Y suppressed comet positive responses with and without araC, suggesting that they decreased comet assay detectable SSBs. Therefore, these 6 REs are considered to inhibit the incision step of NER. Only La decreased tail length without araC but increased with araC, suggesting that La increased comet assay detectable SSBs and that only La would enhance the incision step of NER. Neither Nd nor Ho affected tail length with or without araC.
Perioperative Therapy in Early-Stage Lung Cancer
Authors: Desai Aakash , Velazquez Ana I. , West Howard (Jack)
Published: July 2022

This JAMA Oncology Patient Page describes the use of systemic therapy in addition to surgery in the treatment of early-stage lung cancer.
Daily Insulin Dose and Cancer Risk Among Patients With Type 1 Diabetes
Authors: Zhong Wenjun , Mao Yuanjie
Published: July 2022

This cohort study examines the incidence of cancer diagnosis and risk factors among patients on a daily regimen of insulin.
Association Between Open Payments–Reported Industry Transfers of Value and Prostaglandin Analog Prescribing in the US
Authors: Nguyen Andrew M. , Anderson Kelly E. , Anderson Gerard , Johnson Thomas V.
Published: July 2022

Importance

Reported transfers of value (TOV) from pharmaceutical companies have been associated with greater use of branded anti–vascular endothelial growth factor agents by ophthalmologists, but payment under the Medicare Part B buy-and-bill model includes a financial incentive to choose costlier agents, potentially confounding analyses of pharmaceutical TOV and prescribing patterns. How these reported TOV are associated with prescribing patterns for prescription eye drops, not subject to the incentives created by Part B payments, should be considered.

Objective

To assess the association between prostaglandin analog (PGA) eye drop prescribing and reported nonresearch TOV by makers of branded PGAs to US vision care professionals.

Design, Setting, and Participants

This retrospective cohort analysis used a 20% nationally representative sample of 2018 Medicare Part D claims and industry TOV reported to the Open Payments program.

Optometrists and ophthalmologists who had more than 10 claims for PGA drops in the 20% sample were analyzed. Analysis took place from June 2021 to February 2022.

Main Outcomes and Measures

Multivariable logistic regression assessing the association between membership in strata of reported TOV and branded PGA prescribing rate, controlling for prescriber demographic factors, local area practices, total PGA prescribing volume, and plan formularies involved.

Results

A total of 20 612 ophthalmologists and 5426 optometrists (7449 [29%] female and 18 589 [71%] male) prescribed PGA eye drops. Of these, 9685 (37%) were reported to have received TOV from manufacturers of branded PGAs in 2018, totaling $5 060 346. The median (IQR) reported TOV was $65 ($24-$147). Multivariable logistic regression showed that the predicted probability of primarily prescribing branded PGAs among prescribers who reported receiving no TOV was 12.9% (95% CI, 12.4%-13.4%). This figure increased to 19.6% (95% CI, 18.8%-20.4%) among prescribers receiving TOV, a 50% increase. There was a dose-response association, such that the top 10% of TOV recipients had a 29.2% probability (95% CI, 26.4%-31.9%) of preferential branded use.

Conclusions and Relevance

While the median reported TOV to a PGA prescriber was relatively low in this study, there was a positive association between amount of reported nonresearch TOV received from PGA makers and the frequency of branded PGA use. This shows that small reported TOV were associated with differences in prescribing. High rates of branded PGA prescribing may pose a cost burden to patients that affects adherence. Clinicians and policy makers should be aware of these associations.
Safety and Biological Activity of Rozibafusp alfa, a Bispecific Inhibitor of Inducible Costimulator Ligand and B Cell Activating Factor, in Patients With Rheumatoid Arthritis: Results of a Phase 1b, Randomized, Double‐Blind, Placebo‐Controlled, Multiple Ascending Dose Study
Authors: Abuqayyas Lubna , Cheng Laurence E. , Teixeira dos Santos Marcia , Sullivan Barbara A. , Ruiz‐Santiago Norma , Wang Hui , Zhou Yanchen , Chindalore Vishala , Cohen Stanley , Kivitz Alan J. , Posch Maximilian G. , Parnes Jane R.
Published: July 2022

Objective

To assess the safety and biological activity of rozibafusp alfa, a first‐in‐class bispecific antibody–peptide conjugate targeting inducible costimulator ligand (ICOSL) and B cell activating factor (BAFF), in patients with rheumatoid arthritis (RA).

Methods

This phase 1b, double‐blind, placebo‐controlled, multiple ascending dose study included 34 patients (18–75 years; 82.4% female) with active RA (Disease Activity Score of 28 joints–C‐reactive protein [DAS28‐CRP] >2.6, on stable methotrexate) randomized 3:1 to receive rozibafusp alfa (n = 26, in four ascending dose cohorts of 70, 140, 210, and 420 mg) or a placebo (n = 8) subcutaneously once every 2 weeks for 10 weeks (six total doses), with 24 weeks of follow‐up. The primary end point was the incidence of treatment‐emergent adverse events (TEAEs). Additional assessments included serum pharmacokinetics (PK), pharmacodynamics (PD), immunogenicity, and RA disease activity measures (DAS28‐CRP, Patient Global Assessment of Disease, and Physician Global Assessment of Disease).

Results

TEAEs occurred in 96.2% and 87.5% of patients receiving rozibafusp alfa and the placebo, respectively; most were mild or moderate in severity. Two (7.7%) patients treated with rozibafusp alfa reported serious TEAEs; none were considered treatment related. Multiple doses of rozibafusp alfa showed nonlinear PK (mean t1/2 = 4.6–9.5 days) and dose‐related, reversible PD (>90% ICOSL receptor occupancy in 210‐ and 420‐mg cohorts; reduction in naïve B cells and increase in memory B cells in all cohorts). Five (20%) patients developed anti–rozibafusp alfa antibodies, with no apparent impact on safety. RA disease activity showed greater numerical improvement from baseline with rozibafusp alfa versus the placebo in the 210‐ and 420‐mg cohorts.

Conclusion

Multiple ascending doses of rozibafusp alfa were well tolerated, with PK and PD reflecting dual ICOSL and BAFF blockade. Findings support further clinical evaluation of rozibafusp alfa in autoimmune disease.
Self‐Formation CoO Nanodots Catalyst in Co(TFSI)2‐Modified Electrolyte for High Efficient Li‐O2 Batteries
Authors: Sun Guiru , Gao Rui , Jiao Hailiang , Luo Dan , Wang Yan , Zhang Zexu , Lu Wei , Feng Ming , Chen Zhongwei
Published: July 2022

The major challenges for Li‐O2 batteries are sluggish reaction kinetics and large overpotentials due to the cathode passivation resulting from insulative and insoluble Li2O2. Here, a novel nanodot (ND)‐modified electrolyte is designed by employing cobalt bis(trifluoromethylsulfonyl)imide (Co(TFSI)2) as an electrolyte additive. The Co(TFSI)2 additive can react with discharge intermediate LiO2 and product Li2O2 to form CoO NDs. The generated CoO NDs are well dispersed in electrolyte, which integrates both the high catalytic activity of solid catalyst and the good wettability of soluble catalyst. Under the catalytis of CoO NDs, Li2O2 is produced and deposits on the cathode together with them. At the recharge process, these well dispersed CoO NDs help to decompose solid Li2O2 at a lower overpotential. The Li‐O2 cells with Co(TFSI)2 exhibit a long cycle life of 200 cycles at a current density of 200 mA g−1 under a cutoff capacity of 1000 mAh g−1, as well as a superior reversibility associated with the Li2O2 formation and decomposition. The study is expected to broaden the range of electrolyte additives and provide a new view to developing highly dispersed NDs‐based catalysts for Li‐O2 batteries.
In Situ Characterization of the Protein Corona of Nanoparticles In Vitro and In Vivo
Authors: Latreille Pierre‐Luc , Rabanel Jean‐Michel , Le Goas Marine , Salimi Sina , Arlt Jochen , Patten Shunmoogum A. , Ramassamy Charles , Hildgen Patrice , Martinez Vincent A. , Banquy Xavier
Published: July 2022

A new theoretical framework that enables the use of differential dynamic microscopy (DDM) in fluorescence imaging mode to quantify in situ protein adsorption onto nanoparticles (NP) while simultaneously monitoring for NP aggregation is proposed. This methodology is used to elucidate the thermodynamic and kinetic properties of the protein corona (PC) in vitro and in vivo. The results show that protein adsorption triggers particle aggregation over a wide concentration range and that the formed aggregate structures can be quantified using the proposed methodology. Protein affinity for polystyrene (PS) NPs is observed to be dependent on particle concentration. For complex protein mixtures, this methodology identifies that the PC composition changes with the dilution of serum proteins, demonstrating a Vroman effect never quantitatively assessed in situ on NPs. Finally, DDM allows monitoring of the evolution of the PC in vivo. This results show that the PC composition evolves significantly over time in zebrafish larvae, confirming the inherently dynamic nature of the PC. The performance of the developed methodology allows to obtain quantitative insights into nano‐bio interactions in a vast array of physiologically relevant conditions that will serve to further improve the design of nanomedicine.
A Tetrahedral Framework DNA‐Based Bioswitchable miRNA Inhibitor Delivery System: Application to Skin Anti‐Aging
Authors: Li Songhang , Liu Yuhao , Zhang Tao , Lin Shiyu , Shi Sirong , He Jiajun , Xie Yu , Cai Xiaoxiao , Tian Taoran , Lin Yunfeng
Published: July 2022

MicroRNA (miR)‐based therapy shows strong potential; however, structural limitations pose a challenge in fully exploiting its biomedical functionality. Tetrahedral framework DNA (tFNA) has proven to be an ideal vehicle for miR therapy. Inspired by the ancient Chinese myth “Sun and Immortal Birds,” a novel bioswitchable miR inhibitor delivery system (BiRDS) is designed with three miR inhibitors (the three immortal birds) and a nucleic acid core (the central sun). The BiRDS fuses miR inhibitors within the framework, maximizing their loading capacity, while allowing the system to retain the characteristics of small‐sized tFNA and avoiding uncertainty associated with RNA exposure in traditional loading protocols. The RNase H‐responsive sequence at the tail of each “immortal bird” enables the BiRDS to transform from a 3D to a 2D structure upon entering cells, promoting the delivery of miR inhibitors. To confirm the application potential, the BiRDS is used to deliver the miR‐31 inhibitor, with antiaging effects on hair follicle stem cells, into a skin aging model. Superior skin penetration ability and RNA delivery are observed with significant anti‐aging effects. These findings demonstrate the capability and editability of the BiRDS to improve the stability and delivery efficacy of miRs for future innovations.
Potassium Ion Mediated Double‐Layered Upright Assembly of Negatively Charged Amyloid‐Like Peptides at Mica/Water Interface
Authors: Li Danni , Huang Jianxiang , Lao Yichong , Zhang Yiling , Song Wei , Song Jie , Liu Cong , Dai Bin , Zhou Ruhong
Published: July 2022

Insight into the surface‐assisted self‐assembly of amyloid‐like peptides is essential to the design and fabrication of novel functional nanomaterials as well as to uncovering the pathogenesis of various neurodegenerative diseases. Despite extensive research, how to control the self‐assembly of amyloid‐like peptides effectively remains challenging. Here, through a combined experimental and theoretical approach, it is demonstrated that cations could modulate the mica/water interface and further induce the self‐assembly of the negatively charged amyloid‐like peptide Ac–VGGAVVAGV–COO− (Ac–GAV–9) into multilayered nanofilaments with a surprising all‐upright parallel β‐sheet conformation. In particular, highly ordered double‐layered nanofilaments are observed on the negatively charged mica surfaces in the presence of 0.5–1.5 m KCl. The molecular dynamics simulations further reveal that the double‐layered nanofilaments have intriguing parallel β‐sheet structures with the C‐termini of the first parallel monolayer pointing to the mica surface and the C‐termini of the second parallel monolayer pointing to the solvent. Moreover, the stability of the nanofilaments could be modulated by peptide and ion concentrations. Further studies show that the growth of double‐layered fibrils at the mica/water interface is a common phenomenon for Ac–GAV–9 in the presence of a variety of salt types.
π‐Extended Zigzag‐Shaped Diphenanthrene‐Based p‐Type Semiconductors Exhibiting Small Effective Masses
Authors: Mitani Masato , Kumagai Shohei , Yu Craig P. , Oi Ayako , Yamagishi Masakazu , Nishinaga Shuhei , Mori Hiroki , Nishihara Yasushi , Hashizume Daisuke , Kurosawa Tadanori , Ishii Hiroyuki , Kobayashi Nobuhiko , Takeya Jun , Okamoto Toshihiro
Published: July 2022

Molecular design strategy of the π‐electron core is of importance to enhance the organic semiconducting performance. In this study, diphenanthro[1,2‐b:2′,1′‐d]thiophene (DPT) as a new zigzag‐shaped sulfur‐bridged π‐electron core and its phenyl‐substituted derivative (Ph–DPT) exhibiting unique orbital configurations are reported. The DPT derivatives are readily synthesized through a versatile synthetic scheme in five steps from the commercially available dibenzothiophene. Their single‐crystal structural analyses and band calculations revealed that both DPTs form typical herringbone packing structures, which are favorable for 2D charge carrier transport, along with small effective masses. Single‐crystal‐based field‐effect transistors (FETs) of both DPT and Ph–DPT exhibit p‐type behaviors and charge‐carrier mobility up to 5.5 cm2 V–1 s–1. These results provide information that can broaden the molecular design approaches toward high‐performance organic semiconductors.
Stereoselektive Totalsynthese von (−)‐Thallusin zur Bioaktivitätsprofilierung
Authors: Dhiman Seema , Ulrich Johann F. , Wienecke Paul , Wichard Thomas , Arndt Hans‐Dieter
Published: July 2022

Chemische Mediatoren sind Schlüsselverbindungen zur Kontrolle von Symbiosen in unserer Umwelt. Hier berichten wir über eine völlig stereoselektive Totalsynthese des Algendifferenzierungsfaktors (−)‐Thallusin, die sich durchdachter 6‐endo‐Zyklisierungschemie und effektiver sp2–sp2‐Kupplungen mittels Zinn‐freier Reagenzien auf späten Stufen bedient. Durch quantitative phänotypische Profilierung wurde für die weit verbreitete Grünalge Ulva mutabilis (Chlorophyta) ein EC50‐Wert von 4.8 pM ermittelt, was die enorme artenübergreifende Bioaktivität dieses von symbiotischen Bakterien produzierten Mediators aufzeigt. SAR‐Untersuchungen weisen darauf hin, dass (−)‐Thallusin mindestens zwei unterschiedliche Signalwege in Ulva auslöst, die durch chemische Editierung der Mediatorstruktur separiert werden können.
Stereoretentive regio‐ und enantioselektive Allylierung von Isoxazolinonen per planar chiralem Palladacyclus‐Katalysator
Authors: Yu Xin , Hu Lingfei , Frey Wolfgang , Lu Gang , Peters René
Published: July 2022

Die katalytische allylische Substitution ist eines der wichtigsten Werkzeuge in der asymmetrischen Synthese zur enantioselektiven Bildung von C‐C‐Bindungen. Während in vorigen Arbeiten eine hohe Effizienz in Bezug auf Enantio‐ und Regiokontrolle unter Verwendung verschiedener Katalysatortypen erreicht wurde, besteht eine starke allgemeine Einschränkung in einer sehr ausgeprägten Präferenz für die Bildung von allylischen Substitutionsprodukten mit (E)‐konfigurierten C=C‐Doppelbindungen. Hier berichten wir, dass mit einem planar‐chiralen Palladacyclus‐Katalysator unter Verwendung von Isoxazolinonen und Allylimidaten als Substrate ein diastereospezifisches Reaktionsergebnis erzielt wird, wodurch die C=C‐Doppelbindungsgeometrie der Allylsubstrate in den hoch enantiomerenangereicherten Produkten beibehalten wird. DFT‐Rechnungen zeigen, dass die Reaktionen über einen SN2‐Mechanismus und nicht über π‐Allyl‐Pd‐Komplexe ablaufen. Entscheidend für die hohe Kontrolle ist die Stabilisierung des allylischen Fragments im SN2‐Übergangszustand durch π‐Wechselwirkungen mit den Phenylsubstituenten des Pentaphenylferrocen‐Katalysatorkerns.
Exploiting mono‐ and hybrid nanocomposite materials for fused filament fabrication with acrylonitrile butadiene styrene as polymer matrix
Authors: Ceretti Daniel V. A. , Fiorio Rudinei , Van Waeleghem Tom , Desmet Arne , Florizoone Bauke , Cardon Ludwig , D'hooge Dagmar R.
Published: July 2022

Acrylonitrile butadiene styrene (ABS) based polymeric composites consisting of mono‐ and hybrid nano‐compounds, that is, graphene nanoplatelets (GNP's), multi‐walled carbon nanotubes (CNT's), and titanium dioxide (TiO2), are studied for fused filament fabrication (FFF). Rheological analysis in a screening step reveals that nanocomposites containing CNT result in a better nano‐filler dispersion within the matrix and enhanced matrix interaction. The addition of GNP and TiO2 leads to a better coalescence between the deposited filaments. For the actual FFF specimens, emphasis is on the tensile, flexural and impact properties as well as the void content. It is shown that the joint addition of GNP, CNT, and TiO2 gives rise to a remarkable synergistic effect, leading to an improved dispersion and an increased tensile modulus and strength of 3D printed ABS by 16 and 20%. Decreasing the layer thickness increases the mechanical properties of the materials, while the printing temperature does not lead to major variations of the mechanical properties, due to a dominant effect of the addition of nanoparticles. It is also shown that for well‐designed composites the slower sintering and higher void content is overruled by the reinforcement effect.
Cation–π interaction assisted facile preparation of graphene/epoxy nanocomposites with superior strength and toughness
Authors: Huang Ying , Yan Xin , Li Xiaobo , Du Mengqi , Li Yicheng , Yuan Rui , Yang Li , Chang Guanjun
Published: July 2022

High‐performance graphene/epoxy nanocomposites are desired in many fields. However, the performance of graphene/epoxy nanocomposites is far from the actual demand, and many methods reported for the preparation of graphene/epoxy nanocomposites need the participation of environmentally harmful organic solvents. Herein, a novel, facile, and green cation–π interaction assisted phase transfer approach is developed for construction of graphene/epoxy nanocomposites. This strategy includes constructing potassium ion modified reduce graphene oxide (K‐rGO) as nanofiller and choosing 1‐(oxiran‐2‐ylmethyl)‐1H‐indole (IN) as phase transfer agent. The cation–π interaction is formed between K‐rGO and indole group, which not only facilitates the transfer of K‐rGO from water phase to organic phase, but also enhances the dispersion of K‐rGO in epoxy. When the loading of K‐rGO is 0.10 wt%, the tensile strength and elongation at break of epoxy nanocomposites increase by 116.6% and 126.5%, respectively, compared to neat epoxy. The simultaneous improvement in tensile strength and extensibility of graphene/epoxy nanocomposites is achieved. Furthermore, the prepared epoxy nanocomposites exhibit an excellent thermal conductivity owing to the good dispersion of K‐rGO in epoxy matrix.
Light‐driven self‐healing castor oil based polyurethane film with enhanced mechanical properties
Authors: Wang Haoliang , Wang Shiyu , Ren Bibo , Hu Chenggong , Wang Haibo
Published: July 2022

To meet the need of alleviating the pressure of petrochemical industry and environmental protection, polyurethane (PU) made from castor oil (CO) as polyols, replacing petrochemical based crude material has attracted a lot of recognition over the past decades. For the sake of prolonging the service life of materials, it is also necessary to endow vegetable oil‐based polymers with self‐healing properties, which is seldom involved in present study. Currently, optically responsive self‐healing system has attracted extensive attention because of its easy control and simple occurrence. However, the problem of low self‐healing efficiency also puzzles the current research of this self‐healing system. In this study, cinnamoyl group was introduced into bio‐based PU as end blocking agent. The photoresponse reversible cycloaddition reaction of cinnamyl groups and the acceptable chain fluidity of CO provided the possibility for the self‐healing properties of polymers. The dimerization degree of [2 + 2] cycloaddition reactions was as high as 58% under UV light for 36 h from UV–vis spectrum. Investigation of the optical healing property indicated that incision on the surface of certain PU sample was completely repaired and healing efficiency enhanced up to 93.1%, with the introduction of cinnamoyl group. What is more, the results from TGA, DMA and tensile tests suggested that the prepared PU samples showed excellent comprehensive performance.
Synthesis and Properties of Nonaromatic Meta‐Benziheptaphyrins and Aromatic Para‐Benziheptaphyrins
Authors: Rawat Nisha , Ojha Belarani , Ravikanth Mangalampalli
Published: July 2022

Two examples of nonaromatic m‐benziheptaphyrins and two examples of aromatic p‐benziheptaphyrins were synthesized by [5+2] condensation of appropriate m‐benzi pentapyrrane and p‐benzi pentapyrrane respectively and bithiophene diol in CH2Cl2 in the presence of one equivalent of TFA under inert conditions for 30 min followed by oxidation with DDQ in open air for 1 h. The 1H NMR studies carried out at room temperature as well as at lower temperature indicated the nonaromatic nature of m‐benziheptaphyrins with inversion of two thiophene rings and aromatic nature of p‐benziheptaphyrins with inversion of one of the thiophene ring. The X‐ray structure obtained for one of the p‐benziheptaphyrins showed a planar conformation with alignment of one of the thiophene ring away from the macrocyclic inner core but maintained its coplanarity with the mean plane and supported the aromatic nature of the macrocycle. The absorption spectra of m‐benziheptaphyrins resembled with the nonaromatic systems and showed two intense bands at 445 nm, 555 nm and a very broad band in the region of 600–1100 nm whereas the p‐benziheptaphyrin showed three sharp intense bands at 534 nm, 585 nm and 832 nm due to their aromatic nature. The protonation of m‐benziheptaphyrins and p‐benziheptaphyrins resulted in significant bathochromic shifts in their absorption maxima and showed strong absorption in NIR region. The electrochemical studies indicated that m‐ & p‐benziheptaphyrins undergo oxidations and reductions easily. DFT and TD‐DFT studies were in agreement with the experimental observations.
Pathways to adaptive functioning in autism from early childhood to adolescence
Authors: Chandler Susie , Carter Leno Virginia , White Philippa , Yorke Isabel , Hollocks Matthew J. , Baird Gillian , Pickles Andrew , Simonoff Emily , Charman Tony
Published: July 2022

Adaptive functioning is lower in many autistic individuals to a greater extent than would be expected based on IQ. However, the clinical features associated with these difficulties are less well understood. This study examines longitudinal and contemporaneous associations of adaptive functioning in autistic youth across a wide ability range. Parent‐reported autism symptoms, co‐occurring emotional, behavioral and attention deficit hyperactivity disorder (ADHD) symptoms, and IQ were assessed in early childhood (M age 7 years; T1) and 6 years later in adolescence (M age 13 years; T2) in 179 autistic youth. Adaptive functioning was assessed at T2. Structural equation modeling estimated pathways to adaptive functioning from autism, and psychiatric symptoms at T1 and T2, testing whether associations were driven by continuity of behaviors from T1 to T2 or their contemporaneous effect at T2, or both, controlling for T1 IQ. Lower adaptive functioning at T2 was associated with higher T1 and T2 ADHD symptoms (β = −0.14, and β = −0.21) but not behavioral nor emotional symptoms at either timepoint. Lower adaptive functioning at T2 was also associated with lower T1 IQ (β = 0.43) and higher social communication symptoms (β = −0.37) at T2 but not T1, but the relationship with ADHD symptoms remained. Paths were not moderated by sex or IQ. Increased symptoms of ADHD, both in early childhood and contemporaneously, were associated with reduced adaptive functioning in adolescence. Co‐occurring ADHD may be a modifiable risk factor for adaptive function impairments and should be routinely assessed and when present evidence‐based treatments initiated which may benefit adaptive functioning outcomes.

Lay Summary

Adaptive functioning is lower in many autistic individuals to a greater extent than would be expected based on IQ. However, the clinical features associated with these difficulties are less well understood. In a community sample higher attention deficit/hyperactivity disorder (ADHD) symptoms, but not emotional or behavioral symptoms, in both early childhood and contemporaneously were associated with lower adaptive functioning in autistic adolescents. Co‐occurring ADHD may be a modifiable risk factor for adaptive function difficulties in autism.
Gene mutations impede oocyte maturation, fertilization, and early embryonic development
Authors: Fei Cai‐feng , Zhou Li‐quan
Published: July 2022

Reproductive diseases are a long‐standing problem and have become more common in the world. Currently, 15% of the world's population suffers from infertility, and half of them are women. Maturation of oocytes, successful fertilization, and high‐quality embryos are prerequisites for pregnancy. With the development of assisted reproductive technology and advanced genetic assays, we have found that infertility in many young female patients is caused by mutations in various developmental regulators. These pathogenic factors may result in impediment of oocyte maturation, failure of fertilization or early embryonic development arrest. In this review, we categorize these clinically‐identified, mutated genetic factors by their molecular characteristics: nuclear factors (PALT2, TRIP13, WEE2, TBPL2, REC114, MEI1 and CDC20), cytoplasmic factors (TLE6, PADI6, NLRP2/5, FBXO43, MOS and BTG4), a factor unique to primates (TUBB8), cell membrane factor (PANX1), and zona pellucida factors (ZP1‐3). We compared discrepancies observed in phenotypes between human and mouse models to provide clues for clinical diagnosis and treatment of related reproductive diseases.
Cellular self‐organization: An overdrive in Cambrian diversity?
Authors: Vujovic Filip , Hunter Neil , Farahani Ramin M.
Published: July 2022

During the early Cambrian period metazoan life forms diverged at an accelerated rate to occupy multiple ecological niches on earth. A variety of explanations have been proposed to address this major evolutionary phenomenon termed the “Cambrian explosion.” While most hypotheses address environmental, developmental, and ecological factors that facilitated evolutionary innovations, the biological basis for accelerated emergence of species diversity in the Cambrian period remains largely conjectural. Herein, we posit that morphogenesis by self‐organization enables the uncoupling of genomic mutational landscape from phenotypic diversification. Evidence is provided for a two‐tiered interpretation of genomic changes in metazoan animals wherein mutations not only impact upon function of individual cells, but also alter the self‐organization outcome during developmental morphogenesis. We provide evidence that the morphological impacts of mutations on self‐organization could remain repressed if associated with an unmet negative energetic cost. We posit that accelerated morphological diversification in transition to the Cambrian period has occurred by emergence of dormant (i.e., reserved) morphological novelties whose molecular underpinnings were seeded in the Precambrian period.
Low recognition of attention deficit hyperactivity disorder in adult patients admitted to the Epilepsy Monitoring Unit
Authors: Pham Caitlynn , Roy Cayla , Tang Christine , Maheshwari Atul
Published: July 2022

Introduction

Adult patients with epilepsy (PWE) have an 18% prevalence of comorbid attention deficit hyperactivity disorder (ADHD) compared to a prevalence of 2%–5% in the general population. Recognition of this dual diagnosis is important since stimulant therapy is both safe and effective in this population.

Methods

Here, we aim to determine if PWE have adequate documentation for comorbid ADHD when being admitted to the Epilepsy Monitoring Unit (EMU). A retrospective review was conducted at the Baylor St. Luke's Medical Center EMU for patients presenting between July 2017 and November 2020. Patients were divided into two groups: Group I—patients without a documented ADHD diagnosis or ADHD medications and Group II—patients with a documented ADHD diagnosis and/or taking medications indicated specifically for ADHD.

Results

Of 524 individual patients who presented to the EMU, only 25 patients (4.8%) had documentation of a diagnosis of ADHD and/or ADHD medications (Group II). The proportion of patients in Group II did not significantly differ based on the EMU diagnosis. However, there was a significantly greater number of other psychiatric diagnoses (p = .005) and a greater number of psychiatric medications prescribed (p < .001) in patients in Group II.

Conclusion

Our study suggests that ADHD is underrecognized and underdiagnosed in patients presenting to the EMU, and screening tools may be useful to help clinicians address seizure comorbidities such as ADHD.
Insights on the Lewis Superacid Al(OTeF5)3: Solvent Adducts, Characterization and Properties**
Authors: Hoffmann Kurt F. , Wiesner Anja , Steinhauer Simon , Riedel Sebastian
Published: July 2022

Preparation and characterization of the dimeric Lewis superacid [Al(OTeF5)3]2 and various solvent adducts is presented. The latter range from thermally stable adducts to highly reactive, weakly bound species. DFT calculations on the ligand affinity of these Lewis acids were performed in order to rank their remaining Lewis acidity. An experimental proof of the Lewis acidity is provided by the reaction of solvent‐adducts of Al(OTeF5)3 with [PPh4][SbF6] and OPEt3, respectively. Furthermore, their reactivity towards chloride and pentafluoroorthotellurate salts as well as (CH3)3SiCl and (CH3)3SiF is shown. This includes the formation of the dianion [Al(OTeF5)5]2−.
Multiwalled Carbon Nanotube Purification Probed by Electrochemistry: Low‐Temperature Chlorine Gas Treatment Meets High‐Temperature Annealing
Authors: Berrada Nawal , El Housseini Wassim , Desforges Alexandre , Gleize Jérôme , Ghanbaja Jaafar , Etienne Mathieu , Houllé Matthieu , Bellouard Christine , Vigolo Brigitte
Published: July 2022

The metal‐based residues in carbon nanotube samples can have an enormous impact to their properties which hinders their transfer to practical applications. Development of high‐performance purification methods and high sensitive approaches to detect and quantify the remaining impurities within the nanotube samples are still an active research field. Here, commercial multiwalled carbon nanotubes have been purified thanks to a non‐standard one‐step gas phase treatment using chlorine. Its facile reaction with the metal based impurities located inside and outside the carbon nanotubes allows to efficiently remove them at 1000 °C, with a sample yield of 79%. Raman spectroscopy and X‐ray photoelectron spectroscopy show that the carbon nanotube quality is preserved after purification. The quantity of magnetic residues is accurately evaluated by magnetic measurements, their outcome content is below 500 ppm (weight %). Finally, the redox behavior probed with hydrogen peroxide reduction is competitive with that obtained with a commercial sample thermally purified at 2400 °C. These two techniques were combined for the first time for high sensitivity characterization of ultra‐pure multiwalled carbon nanotubes. The used chlorine‐based treatment fulfills the requirements of an alternative tool to develop low energy processes for large scale industrial production of purified carbon nanotubes.
Piezoelectric Polarization and Empty Conduction Band of Zinc Sulfide: Structure Modulation on Graphitic Carbon Nitride for Carbon Dioxide Reduction to Methane
Authors: Hu Cheng , Sun Hao‐Yu , Jia Xue‐Mei , Lin Hai‐Li , Cao Jing , Chen Shi‐Fu
Published: July 2022

Rapid recombination of photoinduced charges on the surface and in the bulk phase of semiconductors severely hinders the photocatalytic performance. The synchronous regulation of photocarriers at different locations is also a huge challenge. With these issues in mind, the simultaneous enhancement of surface and bulk carrier separation of g‐C3N4 for highly selective reduction of CO2 to CH4 by coupling with dual functional ZnS is reported. The introduction of ZnS not only acts as a cocatalyst to capture the photogenerated electrons of g‐C3N4, but also forms a polarization electric field to drive the prompt migration and separation of photogenerated charges from bulk to surface. Under concurrent vibration and visible‐light irradiation, the as‐obtained ZnS/g‐C3N4 demonstrates significantly enhanced piezo‐photocatalytic for CO2 reduction, which is higher than that of photocatalytic and piezocatalytic performance, respectively. In addition, the selectivity of the reduction products is enhanced through optimization of the mass ratio of ZnS/g‐C3N4. When the ZnS content is increased to 7.95 wt%, high selectivity (95.7 %) of CO2 reduction to CH4 is achieved on ZnS/g‐C3N4. This work provides a means to regulate the carrier movement pathway and to enhance charge separation in the bulk phase and on the surface of the semiconductor for selective CO2 conversion.
Optimal design of both multi‐input multi‐output loop filter and multi‐input single‐output reconstruction filter of sigma delta modulator
Authors: Miao Qing , Ling Bingo Wing‐Kuen , Dam Heidi Hai Huyen
Published: July 2022

This paper considers a sigma delta modulator (SDM) with the outputs of the quantizers directly fedback to the inputs of the loop filter without being subtracted from the input sequence. The design of the multi‐input multi‐output (MIMO) loop filter is formulated as an optimization problem. In particular, the sum of the inner products between the elements in the signal transfer function (STF) and the corresponding elements in the noise transfer function (NTF) of the SDM is minimized. The constraints of the optimization problem are defined based on the specifications on the maximum absolute difference between the magnitude response of the designed STF and that of the desirable STF as well as that between the magnitude response of the designed NTF and that of the desirable NTF of the SDM. Similarly, the design of the multi‐input single‐output (MISO) reconstruction filter is also formulated as an optimization problem. In particular, the sum of the total absolute difference between the designed magnitude response of the reconstruction filter and the desirable magnitude response of the STF of the SDM is minimized. The constraint of the problem is defined based on the specification on maximum absolute difference between the designed magnitude response of the reconstruction filter and the desirable magnitude response of the STF of the SDM. In this paper, the genetic algorithm is employed to find a near global solution of the formulated optimization problems. In order to reduce the required computational power, the matrix inversion lemma is applied. The computer numerical simulation results show that the SDM designed by our proposed method outperforms the SDMs designed by the Matlab function in terms of the signal to noise ratio (SNR) performance.
Solvent‐Dependent Self‐Assembly of an Amphiphilic Copper(II) Complex with Bulky Head Groups
Authors: Schreck Constantin , Weihermüller Johannes , Thoma Peter , Rosenfeldt Sabine , Drechsler Markus , Förster Christoph , Heinze Katja , Hörner Gerald , Weber Birgit
Published: July 2022

The aggregation behavior of an amphiphilic copper(II) complex was studied in solution by means of UV‐Vis and EPR spectroscopy. While dilute solutions in polar media do not give indication of relevant intermolecular interactions, concentrated solutions in nonpolar media clearly do not reflect the molecular properties of [CuL] (H2L: N2O2 ligand of the Jäger‐type with bulky head‐group and long alkoxy tailing). Massive broadening of EPR‐lines is prevalent in non‐polar media, such as n‐heptane and iso‐octane. In combination with DFT‐modelling, the solvent‐dependence of the EPR response (line widths and Cu‐hyperfine coupling) could be associated with the formation of oligomers with weak anti‐ferromagnetically coupled copper centers. Weak anti‐ferromagnetic coupling becomes evident also by SQUID magnetometry at T<10 K of solid samples of [CuL]. The tendency towards supramolecular aggregation is unequivocally shown by electron microscopy of dried (TEM) and frozen samples (cryo‐TEM). While the former approach gives evidence of the formation of extended 2D sheet‐like structures with extensions on the micrometer scale, the latter technique identifies the formation of 1D thread‐like structures with lengths of several hundred nanometers.