bluuebunny/crossref_metadata_2025 huggingface dataset:
Poly(2‐vinylpyridine) as an Additive for Enhancing N‐Type Organic Thin‐Film Transistor Stability
Authors: Brixi Samantha , Dindault Chloé , King Benjamin , Lamontagne Halynne R. , Shuhendler Adam J. , Swaraj Sufal , Lessard Benoît H.
Published: November 2023

N‐type organic semiconductors are particularly susceptible to degradation by ambient air. One such solution to this issue is to include additives in the inks these semiconductors would be cast from that would enhance device stability after film deposition. This method would reduce the number of processing steps needed to fabricate devices compared to other stabilization methods, such as encapsulation. In this study, the stabilization of n‐type performance of the semiconductor poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,29‐bisthiophene)} (P(NDI2OD‐T2)) when it is blended with an increasing proportion by weight of poly(2‐vinylpyridine) (P2VP) is reported. The simple synthesis of P2VP also makes it an ideal candidate material for large‐scale applications. Concentrations as low as 0.1% P2VP incorporated into the P(NDI2OD‐T2) blends provided an immediate stabilization effect, and at 10% and 50%, longer‐term stability after one week is observed.
Supporting early‐career dementia researchers: Identifying support needs and ways forward via a European study
Authors: Dupont Charlèss , Gilissen Joni , Dassen Fania C. M. , Branco Rita Maldonado , Heins Pascale , Heffernan Eithne , Bartels Sara Laureen
Published: November 2023

INTRODUCTION

Early‐career researchers contribute significantly to dementia research and clinical practice. However, a growing group of early‐career dementia researchers (ECDRs) lack appropriate support throughout their careers. Thus, we aim to (i) explore support needs, (ii) determine recommendations, and (iii) set the agenda for organizations to better support ECDRs.

METHODS

An iterative, explanatory sequential mixed‐methods design was applied. First ECDRs' needs were identified using an online survey informed by the Vitae Researcher Development Framework. Next, priority areas were selected and explored qualitatively with ECDRs in two workshops, utilizing the World Café methodology.

RESULTS

Sixty‐five ECDRs throughout Europe completed the survey, with the majority reporting that greater support is needed in terms of funding and career opportunities, social support and well‐being, and “wide‐reaching” dissemination.

DISCUSSION

Based on the findings, six recommendations for support organizations, funding bodies, and universities to better support ECDRs are formulated, each intended for specific target audiences.

Highlights

This article reports on focal points of career‐related support needed in doctoral education and postdoctoral employment to foster a healthier academic environment, including finance, work–life balance, dissemination of research findings, and supervision, both in general and in dementia fields specifically.

Funding and resources were identified as a significant challenge, and there was a call for more long‐term positions and transition funding for postdoctoral researchers.

Early‐career dementia researchers addressed the need for support in producing outputs for non‐academic audiences, including people living with dementia. The importance of disseminating research to diverse audiences has long been recognized; thus, it is critical that early‐career dementia researchers be supported in this effort.

Recommendations were formulated for researcher support (organizations), funding bodies, and universities. These recommendations include providing support for disseminating research to non‐academic audiences, offering training in supervision skills, and promoting peer‐to‐peer mentoring and social activities for early‐career dementia researchers.
Physical activity and brain amyloid beta: A longitudinal analysis of cognitively unimpaired older adults
Authors: Slee Michael G. , Rainey‐Smith Stephanie R. , Villemagne Victor L. , Doecke James D. , Sohrabi Hamid R. , Taddei Kevin , Ames David , Dore Vincent , Maruff Paul , Laws Simon M. , Masters Colin L. , Rowe Christopher C. , Martins Ralph N. , Erickson Kirk I. , Brown Belinda M.
Published: November 2023

INTRODUCTION

The current study evaluated the relationship between habitual physical activity (PA) levels and brain amyloid beta (Aβ) over 15 years in a cohort of cognitively unimpaired older adults.

METHODS

PA and Aβ measures were collected over multiple timepoints from 731 cognitively unimpaired older adults participating in the Australian Imaging, Biomarkers and Lifestyle (AIBL) Study of Aging. Regression modeling examined cross‐sectional and longitudinal relationships between PA and brain Aβ. Moderation analyses examined apolipoprotein E (APOE) ε4 carriage impact on the PA‐Aβ relationship.

RESULTS

PA was not associated with brain Aβ at baseline (β = –0.001, p = 0.72) or over time (β = –0.26, p = 0.24). APOE ε4 status did not moderate the PA‐Aβ relationship over time (β = 0.12, p = 0.73). Brain Aβ levels did not predict PA trajectory (β = –54.26, p = 0.59).

DISCUSSION

Our study did not identify a relationship between habitual PA and brain Aβ levels.

Highlights

Physical activity levels did not predict brain amyloid beta (Aβ) levels over time in cognitively unimpaired older adults (≥60 years of age).

Apolipoprotein E (APOE) ε4 carrier status did not moderate the physical activity–brain Aβ relationship over time.

Physical activity trajectories were not impacted by brain Aβ levels.
Virtual care delivery of whole family assessment and intervention with infants and preschoolers: a thematic analysis of clinician and family experiences
Authors: Philipp Diane A. , Szczech Klaudia , Hanson Nick L. , O'Hara Gabrielle , Puckett Janai
Published: November 2023

In this study, we explore family and clinician experiences with virtual care delivery of whole family assessment and therapy developed for infant and preschool‐aged children and adapted during the COVID‐19 pandemic. A clinical case study is also presented. Between September and November 2020, semi‐structured interviews were conducted with four clinicians working with families with children in the 0 to 5 population and with four caregivers with children aged 4–6 years (M = 5.3) involved in whole family assessment and intervention (i.e., Lausanne Trilogue Play [LTP]; Reflective Family Play [RFP]) at a community mental health facility. Clinicians represented various mental health disciplines. Qualitative data were analysed using inductive thematic analysis with intercoder reliability established. Analysis of interviews generated nine themes organised within two conceptual frameworks, accessibility and efficacy. Accessibility included the themes: (1) flexibility, (2) privacy, and (3) resources. Efficacy comprised: (4) effects of technology, (5) home environment, (6) feasibility of therapy tasks, (7) parent alliance, (8) clinician fatigue, and (9) overall evaluation. Home environment was further divided into three subthemes: (5.1) disruptions, (5.2) boundaries, and (5.3) naturalistic observation. While participants reported benefits and challenges uniquely related to virtual care, both caregivers and clinicians expressed overall satisfaction with virtual whole family assessment and therapy. This study provides a rich exploration of the perspectives of caregivers and clinicians engaged in virtual whole family mental health care during the COVID‐19 pandemic. With adequate technology and privacy, whole family assessment and therapy, such as the LTP and RFP, provided via video teleconferencing facilitated accessible and effective care for families of young children with moderate to severe mental health challenges. Evidence suggests in‐person and hybrid approaches to whole family assessment and therapy could be further tailored to meet the needs of families with young children and infants.
The Lausanne Trilogue Play: bringing together developmental and systemic perspectives in clinical settings
Authors: Tissot Hervé , Favez Nicolas
Published: November 2023

Developmentalists have demonstrated that the quality of relationships established by infants with their proximal social environment is crucial for lifecourse development. However, studies of parent–infant relationships have mostly centred on the mother–child dyad. Stemming from family systems theory that considers interactions within the whole family as critical for an individual's personal development, a group of family therapists and researchers in Lausanne (Switzerland) tried to bridge the gap between systemic and developmental thinking by stressing the need to establish the mother–father–infant triad as a collective unit of study. In response, they created the Lausanne Trilogue Play (LTP), a method to systematically assess the quality of mother–father–infant interactions. The LTP is an observational situation during which parents are asked to play with their infant in four parts: (i) one parent plays with the infant, while the other parent is ‘simply present’; (ii) the parents switch roles; (iii) all three play together; (iv) the parents discuss in front of the infant. The theoretical model underpinning the LTP is the family alliance model, which postulates that the quality of the coordination demonstrated by the triad to achieve this task can be assessed mainly through careful observation of non‐verbal behaviours as indicators of the achievement of four interactive functions (i.e., participation, organisation, focalisation, affect sharing); fulfilment of these functions determines the quality of relational functioning within the system. This article introduces the clinical, theoretical, and empirical foundations of using the LTP method with the family alliance model; its use in clinical and research contexts; and the most recent advances in the field of research on mother–father–infant interactions based on the LTP situation.
19th Asian Pacific Confederation of Chemical Engineering (APCChE) Congress 2022: Working towards a sustainable society—Special issue
Authors: Lee Tin Sin , Chong Chien Hwa
Published: November 2023

This special issue captures the papers of 19th Asian Pacific Confederation of Chemical Engineering (APCChE) Congress 2022 with the theme “Working Towards a Sustainable Society.” Since the announcement of 17 Sustainability Development Goals by United Nations, chemical engineers are obligated to use their expertise to engineer the industries towards environmental friendly technology. Chemical engineers are keen to contribute explicitly on energy conservation, water resources management, waste minimization, waste management, responsible consumption, recycling technology development, bioresources, pollution control as well as circular economy, education, and so on. These contributions primarily aim to enhance the quality of life, foster a healthier environment, and strengthen our community, ultimately improving prospects for the future.
Acrylic thiazole copolymer microspheres with “cluster effect” for long‐lasting antimicrobial activity and plant growth promotion
Authors: Zhang Yaping , Zhu Xinhua , Geng Yuanze , He Yufeng , Wang Rongmin
Published: November 2023

The environmentally friendly, low toxic or nontoxic, and functional material to solve the needs of agricultural development are the key to current scientific research. Here, acrylic thiazole copolymer clusters (AcTPCs) were successfully synthesized by using common methacrylic acid as an induced source, combined with the antimicrobial monomers acrylic thiazole (AcT) and Zn2+, which are of great value for agricultural applications. Utilizing the “cluster effect,” under the synergistic effect of the fully exposed active ingredients, they not only have long‐lasting antimicrobial effects against bacteria and fungi, but also promote the growth of plant roots and stems and increase the chlorophyll content. Therefore, this study provides a novel, environmental‐friendly, and low‐toxic method to solve the microbe infection problem, which is expected to improve the agriculture.
Encapsulation of anthocyanin with gelatin‐alginate carrier by a specially designed ultrasonic encapsulator with adjustable frequency
Authors: Sarıoğlu Kemal , Ülgen Ahmet , Oral Rasim Alper
Published: November 2023

Anthocyanins are of increasing interest for food applications due to their health benefits. However, their poor stability and susceptibility to unfavorable environmental conditions may limit their application. Microencapsulation offers enhanced stability and controlled release properties. The aim was designing an ultrasonic encapsulator with a variable frequency ultrasonic driver to encapsulate black carrot and mahaleb anthocyanins. First, a double‐channel variable frequency and power adjustable ultrasonic driver and atomizer head were designed. The cooled gelation technique was used to encapsulate anthocyanin in an alginate‐gelatin complex. Freeze‐drying and air‐drying techniques were used for drying of microcapsules. Encapsulation parameters were atomization frequency, alginate, and anthocyanin concentrations. The capsules were characterized by encapsulation efficiency, particle diameter, and controlled release rates. Controlled release tests were performed at two different temperatures and pH values. Encapsulation efficiency was 87%–95%, mean diameters were between 69 and 95 μm. Maximum release rates were obtained from freeze‐dried mahaleb anthocyanin capsules. Release rates increased with increasing temperature and pH values. In addition, the experimental results showed that the increase in the amount of alginate used in encapsulation decreased the release rate. Moreover, the results proved that the designed encapsulator can be used for encapsulation in fields such as food, pharmaceuticals, polymers, chemistry, and materials.
Palladium‐Catalyzed Tandem Cyclization of Bromoalkynes, Anilines and CO: Access to 1,3‐Substituted Maleimides
Authors: Zeng Caijin , Su Shaoting , Fang Songjia , Jiang Huangfeng , Yang Shaorong , Wu Wanqing
Published: November 2023

A novel palladium‐catalyzed three‐component carbonylation reaction for the assembly of various 1,3‐substituted maleimide derivatives from haloalkynes and simple anilines. The nucleophilic addition reaction of haloalkynes, anilines and CO, and insertion of carbonyl have been achieved sequentially in this reaction. The high chemo‐ and regioselectivities, as well as no need of expensive ligands or additives further illustrate the synthetic value of this approach.
Drug combinations screening using a Bayesian ranking approach based on dose–response models
Authors: Boumendil Luana , Fontaine Morgane , Lévy Vincent , Pacchiardi Kim , Itzykson Raphaël , Biard Lucie
Published: November 2023

Drug combinations have been of increasing interest in recent years for the treatment of complex diseases such as cancer, as they could reduce the risk of drug resistance. Moreover, in oncology, combining drugs may allow tackling tumor heterogeneity. Identifying potent combinations can be an arduous task since exploring the full dose–response matrix of candidate combinations over a large number of drugs is costly and sometimes unfeasible, as the quantity of available biological material is limited and may vary across patients. Our objective was to develop a rank‐based screening approach for drug combinations in the setting of limited biological resources. A hierarchical Bayesian 4‐parameter log‐logistic (4PLL) model was used to estimate dose–response curves of dose–candidate combinations based on a parsimonious experimental design. We computed various activity ranking metrics, such as the area under the dose–response curve and Bliss synergy score, and we used the posterior distributions of ranks and the surface under the cumulative ranking curve to obtain a comprehensive final ranking of combinations. Based on simulations, our proposed method achieved good operating characteristics to identifying the most promising treatments in various scenarios with limited sample sizes and interpatient variability. We illustrate the proposed approach on real data from a combination screening experiment in acute myeloid leukemia.
Integration of Planova filters in manufacturing processes of biologicals improve the virus safety effectively: A review of publicly available data
Authors: Gröner Albrecht
Published: November 2023

The capacity to remove viruses by Planova filters produced by Asahi Kasei, primarily by small virus‐retentive filters, were compiled from data in peer‐reviewed publications and, partly, publicly available data from presentations at conferences (Planova workshops). Data from more than 100 publications and presentations at conferences covering Planova filters were assessed. The data were grouped according to the different virus filters regarding mean pore sizes and viruses of different sizes for plasma and cell culture derived products. Planova 15N and 20N filters removed parvoviruses below the limit of detection of viruses in the filtrate in approx. 50% of all studies and mean LRFs (log reduction factors) for viruses detected in the filtrate were above 4, demonstrating effective parvovirus reduction. Parvovirus removal capacity increased for Planova BioEX filters as well as for 2 Planova 20N in series. Large viruses as retroviruses (e.g., HIV and MuLV), herpesviruses, flaviviruses and togaviruses were removed effectively by Planova 15N, 20N and BioEX filters and also by Planova 35N filters. Flow interruption, transmembrane pressure, volume and protein concentration per filter area had had no substantial impact on virus removal capacity at manufacturing specification. In conclusion, the incorporation of Planova filters in manufacturing processes of biologicals remove, depending on the filter pore size, small and large viruses from the feed stream reliably. This virus reduction step with an orthogonal mechanism integrated in the manufacturing processes of biologicals, based primarily on size exclusion of viruses, improves the virus safety of these biopharmaceutical products considerably.
Understanding adsorption behavior of Polysorbate‐20 to sterile filters in therapeutic proteins final filtration process
Authors: Ren Jian , Zhang Yun , Wang Chen
Published: November 2023

Surfactants are commonly used in the therapeutic protein manufacturing process as stabilizer. Polysorbate‐20 (PS‐20) is one of the most commonly used surfactants to mitigate protein aggregation in the therapeutic protein formulation. It has been observed that polysorbate can be adsorbed by sterile filters during the final filtration process, which poses risk of uneven distribution and potentially reduced polysorbate concentration in final products. In this study, we evaluated the PS‐20 adsorption behavior using commonly used sterilizing‐grade microfiltration (MF) membranes via a customized filtration set‐up. The effect of membrane properties, including the membrane materials, modification, and layer configuration were studied. In addition, the effect of PS‐20 concentration was evaluated and the PS‐20 adsorption amount by each type of membranes was determined quantitatively and showed good agreement with the in‐process adsorption results. Finally, the selection of sterile filters and strategy of pre‐flush are discussed for ensuring accurate PS‐20 content in the final therapeutic protein drug product.
Impact of interstitial flow on cartilage matrix synthesis and NF‐kB transcription factor mRNA expression in a novel perfusion bioreactor
Authors: Abusharkh Haneen A. , Robertson Terreill , Mendenhall Juana , Gozen Bulent A. , Tingstad Edwin M. , Abu‐Lail Nehal I. , Thiessen David B. , Van Wie Bernard J.
Published: November 2023

This work is focused on designing an easy‐to‐use novel perfusion system for articular cartilage (AC) tissue engineering and using it to elucidate the mechanism by which interstitial shear upregulates matrix synthesis by articular chondrocytes (AChs). Porous chitosan‐agarose (CHAG) scaffolds were synthesized and compared to bulk agarose (AG) scaffolds. Both scaffolds were seeded with osteoarthritic human AChs and cultured in a novel perfusion system with a medium flow velocity of 0.33 mm/s corresponding to 0.4 mPa surfice shear and 40 mPa CHAG interstitial shear. While there were no statistical differences in cell viability for perfusion versus static cultures for either scaffold type, CHAG scaffolds exhibited a 3.3‐fold higher (p < 0.005) cell viability compared to AG scaffold cultures. Effects of combined superficial and interstitial perfusion for CHAG showed 150‐ and 45‐fold (p < 0.0001) increases in total collagen (COL) and 13‐ and 2.2‐fold (p < 0.001) increases in glycosaminoglycans (GAGs) over AG non‐perfusion and perfusion cultures, respectively, and a 1.5‐fold and 3.6‐fold (p < 0.005) increase over non‐perfusion CHAG cultures. Contrasting CHAG perfusion and static cultures, chondrogenic gene comparisons showed a 3.5‐fold increase in collagen type II/type I (COL2A1/COL1A1) mRNA ratio (p < 0.05), and a 1.3‐fold increase in aggrecan mRNA. Observed effects are linked to NF‐κB signal transduction pathway inhibition as confirmed by a 3.2‐fold (p < 0.05) reduction of NF‐κB mRNA expression upon exposure to perfusion. Our results demonstrate that pores play a critical role in improving cell viability and that interstitial flow caused by medium perfusion through the porous scaffolds enhances the expression of chondrogenic genes and extracellular matrix through downregulating NF‐κB1.
Dynamic flux balance analysis of 1,3‐propanediol production by clostridium butyricum fermentation
Authors: Pan Duo‐Tao , Wang Pan , Wang Xiao‐Li , Sun Ya‐Qin , Xiu Zhi‐Long
Published: November 2023

To study the relationship between the yield of 1,3‐propanediol (1,3‐PDO) and the flux change of the Clostridium butyricum metabolic pathway, an optimized calculation method based on dynamic flux balance analysis was used by combining genome‐scale flux balance analysis with a kinetic model. A more comprehensive and extensive metabolic pathway was obtained by optimization calculations. The primary extended branches include: the dihydroxyacetone node, which enters the pentose phosphate pathway; the α‐oxoglutarate node, which has synthetic metabolic pathways for glutamic acid and amino acids; and the serine and homocysteine nodes, which produce cystathionine before homocysteine enters the methionine cycle pathway. According to the expanded metabolic network, the flux distribution of key nodes in the metabolic pathway and the relationship between the flux distribution ratio of nodes and the yield of 1,3‐PDO were analyzed. At the dihydroxyacetone node, the flux of dihydroxyacetone converted to dihydroxyacetone phosphate was positively correlated with the yield of 1,3‐PDO. As an important intermediate product, the flux change in the metabolic pathway of α‐oxoglutarate reacting with amino acids to produce glutamic acid is positively correlated with the yield. When pyruvate was used as the central node to convert into lactic acid and α‐oxoglutarate, the proportion of branch flux was negatively correlated with the yield of 1,3‐PDO. These studies provide a theoretical basis for the optimization and further study of the metabolic pathway of C. butyricum.
Polyhydroxyalkanoates and exopolysaccharides: An alternative for valuation of the co‐production of microbial biopolymers
Authors: de Siqueira Edmilson Clarindo , de Andrade Alves Aline , da Costa e Silva Páblo Eugênio , de Barros Maria Paloma Silva , Houllou Laureen Michelle
Published: November 2023

Polyhydroxyalkanoates (PHAs) and exopolysaccharides (EPSs) belong to a class of abundant biopolymers produced by various fermenting microorganisms. These biocompounds have high value‐added potential and can be produced concurrently. Co‐production of PHAs and EPSs is a strategy employed by researchers to reduce costs associated with large‐scale production. EPSs and PHAs are non‐toxic, biocompatible, and biodegradable, making them suitable for various industrial sectors, including packaging and the medical and pharmaceutical industries. These biopolymers can be derived from agro‐industrial residues, thus contributing to the bioeconomy by producing high‐value‐added products. This review investigates approaches for simultaneously synthesizing PHAs and EPSs using different carbon sources and microorganisms.
Management of locally advanced non‐small cell lung cancer: State of the art and future directions
Authors: Miao Da , Zhao Jing , Han Ying , Zhou Jiaqi , Li Xiuzhen , Zhang Ting , Li Wen , Xia Yang
Published: November 2023

Lung cancer is the second most common and the deadliest type of cancer worldwide. Clinically, non‐small cell lung cancer (NSCLC) is the most common pathological type of lung cancer; approximately one‐third of affected patients have locally advanced NSCLC (LA‐NSCLC, stage III NSCLC) at diagnosis. Because of its heterogeneity, LA‐NSCLC often requires multidisciplinary assessment. Moreover, the prognosis of affected patients is much below satisfaction, and the efficacy of traditional therapeutic strategies has reached a plateau. With the emergence of targeted therapies and immunotherapies, as well as the continuous development of novel radiotherapies, we have entered an era of novel treatment paradigm for LA‐NSCLC. Here, we reviewed the landscape of relevant therapeutic modalities, including adjuvant, neoadjuvant, and perioperative targeted and immune strategies in patients with resectable LA‐NSCLC with/without oncogenic alterations; as well as novel combinations of chemoradiation and immunotherapy/targeted therapy in unresectable LA‐NSCLC. We addressed the unresolved challenges that remain in the field, and examined future directions to optimize clinical management and increase the cure rate of LA‐NSCLC.
Administration of a glypican‐3 peptide increases the infiltration and cytotoxicity of CD8+ T cells against testicular yolk sac tumor, associated with enhancing the intratumoral cGAS/STING signaling
Authors: Zhao Junfeng , Qin Le , He Guorong , Xie Tiancheng , Hu Guanghui , Wang Furan , Zhong Hongji , Zhu Jianming , Xu Yunfei
Published: November 2023

Background

Glypican‐3 (GPC3) is highly expressed in testicular yolk sac tumor (TYST). GPC3 has been evaluated as a cancer vaccine for some types of tumors, but little is known on the effects of GPC3 peptide‐based therapy on TYST. Here, we evaluated the antitumor effect of GPC3144‐152 on TYST and its potential mechanisms.

Methods

GPC3144‐152‐specific CD8+ T cells were induced by vaccine immunization and examined by ELISPOT. The CD8+ T cells were purified for testing their cytotoxicity in vitro against TYST cells by CCK‐8 and TUNEL assays and in vivo against tumor growth. The influence of GPC3144‐152 loading and/or cGAS silencing on the tumor growth, apoptosis and cGAS/STING signaling was tested by immunohistochemistry, immunofluorescence, flow cytometry, and Western blot.

Results

Vaccination with GPC3144‐152 induced tumor‐specific CD8+ T cells that secreted high levels of IFN‐γ and granzyme B, and had potent cytotoxicity against TYST in a dose‐dependent manner. Adoptive transfer of CD8+ T cells and treatment with GPC3144‐152 significantly inhibited the growth of TYST tumors, but less effective for cGAS‐silenced TYST tumors in vivo. Treatment with GPC3144‐152 enhanced the infiltration of CD8+ T cells into the tumor environment and their cytotoxicity against TYST tumors in vivo by up‐regulating granzyme B and IFN‐β expression, but down‐regulating GPC3 expression in the tumors. Co‐culture of CD8+ T cells with TYST in the presence of exogenous GPC3144‐152 enhanced peptide‐specific CD8+ T‐cell cytotoxicity in vitro, accompanied by enhancing cGAS, γH2AX, TBK1, and IRF3 phosphorylation in TYST cells, but less effective in cGAS‐silenced TYST cells.

Conclusions

These data indicated that GPC3 peptide‐specific CD8+ T cells had potent antitumor activity against TYST tumor, particularly for combined treatment with the peptide, which was partially dependent on the intratumoral cGAS/STNG signaling. GPC3 peptide vaccine may be valuable for the combination treatment of TYST.
A Review of Phototoxic Plants, Their Phototoxic Metabolites, and Possible Developments as Photosensitizers
Authors: Petit Raphaëlle , Izambart Jonathan , Guillou Mathieu , da Silva Almeida Jackson Roberto Guedes , de Oliveira Junior Raimundo Gonçalves , Sol Vincent , Ouk Tan‐Sothea , Grougnet Raphaël , Quintans‐Júnior Lucindo José , Sitarek Przemyslaw , Thiéry Valérie , Picot Laurent
Published: November 2023

This study provides a comprehensive overview of the current knowledge regarding phototoxic terrestrial plants and their phototoxic and photosensitizing metabolites. Within the 435,000 land plant species, only around 250 vascular plants have been documented as phototoxic or implicated in phototoxic occurrences in humans and animals. This work compiles a comprehensive catalog of these phototoxic plant species, organized alphabetically based on their taxonomic family. The dataset encompasses meticulous details including taxonomy, geographical distribution, vernacular names, and information on the nature and structure of their phototoxic and photosensitizing molecule(s). Subsequently, this study undertook an in‐depth investigation into phototoxic molecules, resulting in the compilation of a comprehensive and up‐to‐date list of phytochemicals exhibiting phototoxic or photosensitizing activity synthesized by terrestrial plants. For each identified molecule, an extensive review was conducted, encompassing discussions on its phototoxic activity, chemical family, occurrence in plant families or species, distribution within different plant tissues and organs, as well as the biogeographical locations of the producer species worldwide. The analysis also includes a thorough discussion on the potential use of these molecules for the development of new photosensitizers that could be used in topical or injectable formulations for antimicrobial and anticancer phototherapy as well as manufacturing of photoactive devices.
Good response to rectal diazepam in refractory cases of cyclic vomiting: A case‐series and review of the literature
Authors: Togha Mansoureh , Babaei Mahsa , Jameie Melika
Published: November 2023

Key Clinical Message

Although increasing in number, cases of CVS are being frequently misdiagnosed and many are refractory to the available treatments. This paper draws attention to a timely consideration of this disorder upon suspicion and proposes rectal diazepam and cinnarizine as highly effective treatments in refractory cases of CVS.

Cyclic vomiting syndrome (CVS) is a set of recurrent episodic attacks of nausea and vomiting. This is a migraine‐related disorder that mostly affects children. Several medications have been recommended for abortive and prophylactic treatment. Unfortunately, in some cases, the treatment is not completely effective and affects the quality of life of the sufferer. In this paper, we report on two cases of children experiencing refractory CVS attacks who were not responsive to recommended medications for acute phase and prophylaxis. This account highlights the efficacy of rectal diazepam for the acute phase of CVS and cinnarizine, an anti‐migraine and anti‐histamine agent, for prophylaxis of further attacks.
Multifunctional Photoelectroactive Materials for Optoelectronic Applications Based on Thieno[3,4‐b]pyrazines and Thieno[1,2,5]thiadiazoles
Authors: Zangoli Mattia , Monti Filippo , Zanelli Alberto , Marinelli Martina , Flammini Soraia , Spallacci Nicol , Zakrzewska Anna , Lanzi Massimiliano , Salatelli Elisabetta , Pierini Filippo , Di Maria Francesca
Published: November 2023

In this study, we introduce a novel family of symmetrical thiophene‐based small molecules with a Donor‐Acceptor‐Donor structure. These compounds feature three different acceptor units: benzo[c][1,2,5]thiadiazole (Bz), thieno[3,4‐b]pyrazine (Pz), and thieno[1,2,5]thiadiazole (Tz), coupled with electron donor units based on a carbazole‐thiophene derivative. Using Density Functional Theory (DFT), we investigate how the molecular geometry and strength of the central acceptor unit impact the redox and spectroscopic properties. Notably, the incorporation of Pz and Tz moieties induces a significant redshift in the absorption and emission spectra, which extend into the near‐infrared (NIR) region, simultaneously reducing their energy gaps (~1.4–1.6 eV). This shift is attributed to the increased coplanarity of the oligomeric inner core, both in the ground (S0) and excited (S1) states, due to the enhanced quinoidal character as supported by bond‐length alternation (BLA) analysis. These structural changes promote better π‐electron delocalization and facilitate photoinduced charge transfer processes in optoelectronic devices. Notably, we show that Pz‐ and Tz‐containing molecules exhibit NIR electrochromic behavior and present ambivalent character in bulk heterojunction (BHJ) solar cells. Finally, theoretical calculations suggest that these molecules could serve as effective two‐photon absorption (2PA) probes, further expanding their potential in optoelectronic applications.
Evaluation of Rhodanine Indolinones as AANAT Inhibitors
Authors: Hagemeister Mackenzie , Hamilton Luke , Wandrey Nicole , Hill Mackinzi , Mounce Emery , Mosel Noah , Lytle Katie , Redinger Makenna , Boley Jake , Fancher Nathan , Haynes Alexis , Fill Ianna , Cole Philip A. , Hill Evan , Moxley Michael A. , Thomas Allen A.
Published: November 2023

Circadian rhythm (CR) dysregulation negatively impacts health and contributes to mental disorders. The role of melatonin, a hormone intricately linked to CR, is still a subject of active study. The enzyme arylalkylamine N‐acetyltransferase (AANAT) is responsible for melatonin synthesis, and it is a potential target for disorders that involve abnormally high melatonin levels, such as seasonal affective disorder (SAD). Current AANAT inhibitors suffer from poor cell permeability, selectivity, and/or potency. To address the latter, we have employed an X‐ray crystal‐based model to guide the modification of a previously described AANAT inhibitor, containing a rhodanine‐indolinone core. We made various structural modifications to the core structure, including testing the importance of a carboxylic acid group thought to bind in the CoA site, and we evaluated these changes using MD simulations in conjunction with enzymatic assay data. Additionally, we tested three AANAT inhibitors in a zebrafish locomotion model to determine their effects in vivo. Key discoveries were that potency could be modestly improved by replacing a 5‐carbon alkyl chain with rings and that the central rhodanine ring could be replaced by other heterocycles and maintain potency.
Association of the social disorganization index with time to first septic shock event in children with acute myeloid leukemia
Authors: Ruiz Jenny , Li Yimei , Cao Lusha , Huang Yuan‐Shung V. , Tam Vicky , Griffis Heather M. , Winestone Lena E. , Fisher Brian T. , Alonzo Todd A. , Wang Yi‐Cheng J. , Dang Alice T. , Kolb E. Anders , Glanz Karen , Getz Kelly D. , Aplenc Richard , Seif Alix E.
Published: November 2023

Background

Pediatric acute myeloid leukemia (AML) chemotherapy increases the risk of life‐threatening complications, including septic shock (SS). An area‐based measure of social determinants of health, the social disorganization index (SDI), was hypothesized to be associated with SS and SS‐associated death (SS‐death).

Methods

Children treated for de novo AML on two Children’s Oncology Group trials at institutions contributing to the Pediatric Health Information System (PHIS) database were included. The SDI was calculated via residential zip code data from the US Census Bureau. SS was identified via PHIS resource utilization codes. SS‐death was defined as death within 2 weeks of an antecedent SS event. Patients were followed from 7 days after the start of chemotherapy until the first of end of front‐line therapy, death, relapse, or removal from study. Multivariable‐adjusted Cox regressions estimated hazard ratios (HRs) comparing time to first SS by SDI group.

Results

The assembled cohort included 700 patients, with 207 (29.6%) sustaining at least one SS event. There were 233 (33%) in the SDI‐5 group (highest disorganization). Adjusted time to incident SS did not statistically significantly differ by SDI (reference, SDI‐1; SDI‐2: HR, 0.84 [95% confidence interval (CI), 0.51–1.41]; SDI‐3: HR, 0.70 [95% CI, 0.42–1.16]; SDI‐4: HR, 0.97 [95% CI, 0.61–1.53]; SDI‐5: HR, 0.72 [95% CI, 0.45–1.14]). Nine patients (4.4%) with SS experienced SS‐death; seven of these patients (78%) were in SDI‐4 or SDI‐5.

Conclusions

In a large, nationally representative cohort of trial‐enrolled pediatric patients with AML, there was no significant association between the SDI and time to SS.
Chemical Investigation on the Mechanism and Kinetics of the Atmospheric Degradation Reaction of Trichlorofluoroethene by OH⋅ and Its Subsequent Fate in the Presence of O2/NOx
Authors: Shiroudi Abolfazl , Czub Jacek , Altarawneh Mohammednoor
Published: November 2023

The M06‐2X/6‐311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled‐cluster single‐double with triple perturbative [CCSD(T)] method was employed to refine the single‐point energies using the complete basis set extrapolation approach. The results indicated that OH‐addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons, resulting in the formation of the C(OH)Cl2−⋅CClF and ⋅CCl2−C(OH)ClF species. The associated barrier heights were determined to be 1.11 and −0.99 kcal mol−1, respectively. Furthermore, the energetic and thermodynamic parameters show that pathway 1 exhibits greater exothermicity and exergonicity compared to pathway 2, with differences of 8.11 and 8.21 kcal mol−1, correspondingly. The primary pathway involves OH addition to the C2 position, with a rate constant of 6.2×10−13 cm3 molecule−1 sec−1 at 298 K. This analysis served to estimate the atmospheric lifetime, along with the photochemical ozone creation potential (POCP) and ozone depletion potential (ODP). It yielded an atmospheric lifetime of 8.49 days, an ODP of 4.8×10−4, and a POCP value of 2.99, respectively. Radiative forcing efficiencies were also estimated at the M06‐2X/6‐311++G(d,p) level. Global warming potentials (GWPs) were calculated for 20, 100, and 500 years, resulting in values of 9.61, 2.61, and 0.74, respectively. TCFE is not expected to make a significant contribution to the radiative forcing of climate change. The results obtained from the time‐dependent density functional theory (TDDFT) indicated that TCFE and its energized adducts are unable to photolysis under sunlight in the UV and visible spectrum. Secondary reactions involve the [TCFE‐OH−O2]⋅ peroxy radical, leading subsequently to the [TCFE−OH−O]⋅ alkoxy radical. It was found that the alkoxy radical resulting from the peroxy radical can lead to the formation of phosgene (COCl2) and carbonyl chloride fluoride (CClFO), with phosgene being the primary product.
Enhanced Piezo‐photocatalytic Performances of AgNbO3 Materials for Dye Decomposition Via Polarization Engineering
Authors: Yang Xue , Liu Xiaoxue , Cai Wei , Wang Zhenhua , Huang Rui , Rao Zeping , Zhang Chunyan , Fu Chunlin
Published: November 2023

The limitation to enhancing photocatalytic performance in photocatalysts lies in the rapid recombination of photo‐induced electrons and holes. Herein, AgNbO3 photocatalysts were synthesized by the hydrothermal method. The effects of hydrothermal temperature on the microstructure and photocatalytic/piezo‐photocatalytic performances of AgNbO3 have been systematically investigated. The AgNbO3 cubes synthesized at 180 °C for 24 h exhibited the best photocatalytic/piezo‐photocatalytic performances among all samples. The corona poling as an important method of polarization engineering is applied to promote further the separation and migration of charge carriers in AgNbO3. The polarized AgNbO3 synthesized at 170 °C exhibited outstanding piezo‐photocatalytic performance, and a degradation rate of 95 % for RhB within 90 min and a high apparent rate constant of 0.02978 min−1 were achieved. On the one hand, the alternating piezoelectric field caused by ultrasonic‐assisted illumination destroyed the shielding effect and enhanced the separation of electron‐hole pairs. On the other hand, polarization engineering induced by corona poling promoted the separation and migration of photo‐induced carriers, thereby realizing more efficient utilization of these charges during the photocatalytic decomposition process. This work presents a facile way to achieve superior piezo‐photocatalytic performances of AgNbO3‐based photocatalyst via polarization engineering.
XGBoost sequential system for the prediction of Persian lemon crop yield
Authors: López Segura Mildred Virginia , Aguilar Lasserre Alberto Alfonso , Fernández Lámbert Gregorio , Posada Gómez Rubén , Villanueva Vásquez Daniel
Published: November 2023

Today, Mexico ranks second worldwide in total lemon production; however, the yield per hectare is only ranked eighth, which makes evident a low productive potential in the country. This work provides an impact analysis of certain physical and climatic variables on the yield of Persian lemon (Citrus latifolia) harvest; its objective is to determine which variables are controllable to guarantee a higher crop yield in different uncontrollable climatic conditions. For this, we developed a yield prediction system. The system consists of three sequential Extreme Gradient Boosting (XGBoost) algorithms fed with historical information, which allow for prediction of Persian lemon crop in its three stages: flowering, budding, and fruiting, having as input variables planting density, number of trees in production, pruning and cleaning, and pest control, in addition to uncontrollable weather elements such as rain and wind. The variables with the greatest impact on crop yield are pruning, cleaning, and pest control. The algorithms have a performance of 0.87, 0.93, and 0.97, respectively, for each stage. The analysis provides the farmer with a tool that allows him to make data‐driven decisions based on the manipulation of good agricultural practices considering the current weather conditions, thus promoting a higher harvest yield and thus a higher profit margin.
Energy‐efficient cluster‐based artificial intelligence routing for wireless sensor networks
Authors: P Rajendra Prasad , Ahmed Roshan Zameer
Published: November 2023

Artificial intelligence (AI)‐based wireless sensor network technology is the future of advancement for real‐time applications. With AI wireless sensor network technology, it is possible to collect data from any environment, analyze in real time, and use it to optimize processes and operations. AI wireless sensor network technology provides an unprecedented level of accuracy as well as the ability to detect even the slightest changes in a given environment. The AI‐based approach uses clustering‐based techniques with self‐organizing map (SOM) for energy conservation in resource‐constrained networks. By clustering the network, it becomes more energy efficient, as data can be shared among members of a cluster without needing to be transmitted across multiple nodes. The proposed AI cluster‐based routing approach outperforms in terms of energy consumption and computational challenges of the network. The results obtained demonstrate the proposed approach to achieve lower energy consumption than the existing algorithms while providing the same level of performance in terms of throughput and latency, as well as a comparison with traditional justification techniques.
Federated learning‐based privacy‐preserving electricity load forecasting scheme in edge computing scenario
Authors: Wang Haolin , Zhao Yun , He Shan , Xiao Yong , Tang Jianlin , Cai Ziwen
Published: November 2023

In the era of big data, massive amounts of data hold great value. However, much data exists as isolated islands, and the maximum value of the data cannot be fully utilized. Federated learning allows each client to train local data and then share the training model parameters securely, which can address the isolated data island problem and exploit data value while ensuring data privacy and security. Accordingly, in order to securely complete the electric power load forecasting using existing data, this paper constructs a federated learning‐based privacy‐preserving scheme to support electricity load forecasting in edge computing scenarios. To address the problems of the data‐isolated islands and data privacy in electric power systems, this paper proposes a decentralized distributed solution based on the federated learning technique. Our scheme achieves electricity load forecasting for power systems through the federated learning‐based framework and uses edge computing architecture to improve real‐time data capability and reduce network latency. For the hierarchical scheduling structure in power systems, we divide the system into a cloud‐side‐device three‐layer architecture, which achieves structural coordination and balance, and each layer collects information according to the scheduling control tasks, promoting scheduling effectiveness. Finally, different privacy protection methods are used on the cloud‐edge and edge‐device sides to significantly enhance data security. Moreover, We have conducted extensive experimental simulations for our proposed scheme. The experimental results show that the relative error of electricity load forecasting is around 1.580%. Meanwhile, our scheme achieves high accuracy and low memory usage. The security analysis proves the feasibility and security of our scheme.
Low‐Volatile Binder Enables Thermal Shock‐Resistant Thin‐Film Cathodes for Thermal Batteries
Authors: Xie Yong , Cao Yong , Zhang Xu , Dong Liangping , Liu Xiaojiang , Cui Yixiu , Wang Chao , Cui Yanhua , Feng Xuyong , Xiang Hongfa , Qie Long
Published: November 2023

Manufacturing thin‐film components is crucial for achieving high‐efficiency and high‐power thermal batteries (TBs). However, developing binders with low‐gas production at the operating temperature range of TBs (400–550 °C) has proven to be a significant challenge. Here, we report the use of acrylic acid derivative terpolymer (LA136D) as a low‐volatile binder for thin‐film cathode fabrication and studied the chain scission and chemical bond‐breaking mechanisms in pyrolysis. It is shown LA136D defers to random‐chain scission and cross‐linking chain scission mechanisms, which gifts it with a low proportion of volatile products (ψ, ψ = 39.2 wt%) at even up to 550 °C, well below those of the conventional PVDF (77.6 wt%) and SBR (99.2 wt%) binders. Surprisingly, LA136D contributes to constructing a thermal shock‐resistant cathode due to the step‐by‐step bond‐breaking process. This is beneficial for the overall performance of TBs. In discharging test, the thin‐film cathodes exhibited a remarkable 440% reduction in polarization and 300% enhancement in the utilization efficiency of cathode materials, while with just a slight increase of 0.05 MPa in gas pressure compared with traditional “thick‐film” cathode. Our work highlights the potential of LA136D as a low‐volatile binder for thin‐film cathodes and shows the feasibility of manufacturing high‐efficiency and high‐power TBs through polymer molecule engineering.
Directed C−H Allylation of Aromatic Carboxamides with Allyl Aryl Ethers under Cp*Co(III)‐Catalysis
Authors: Carral‐Menoyo Asier , Barbolla Iratxe , Santiago Carlos , Espinel Martín , Sotomayor Nuria , Gómez‐Bengoa Enrique , Lete Esther
Published: November 2023

The Cp*Co(III) C−H allylation of (hetero)arenes with allyl aryl ethers has been developed using an amide as directing group (24 examples). DFT calculations have shed light on the mechanistic course and reactivity pattern, showing that strong electron releasing groups favour the reaction by reducing the activation barrier of the rate‐determining C−H activation step. However, the steric strain can increase the energy of the migratory insertion step to the point of completely preventing the reaction, as in the case of the 3,5‐dimethylbenzamide. The obtained allylated compounds have been transformed into a variety of interesting heterocyclic and carbocyclic structures, such as isoquinolones and isochromanones.