bluuebunny/crossref_metadata_2025 huggingface dataset:
Photoredox‐Mediated Deoxygenative Radical Additions of Aromatic Acids to Vinyl Boronic Esters and gem‐Diborylalkenes**
Authors: Nagaraju Anugula , Saiaede Tamer , Eghbarieh Nadim , Masarwa Ahmad
Published: October 2022

A new method to access β‐keto‐gem‐diborylalkanes, by direct deoxygenative radical addition of aromatic carboxylic acids to gem‐dibortlalkenes, is described. The reaction proceeds under mild photoredox catalysis and involves the photochemical C−O bond activation of aromatic carboxylic acids in the presence of PPh3. It generates an acyl radical, which further undergoes an additional reaction with gem‐diborylalkenes to form an α‐gem‐diboryl alkyl radical intermediate, which then reduces to the corresponding anion, which after protonation, affords the β‐keto‐gem‐diborylalkane product. Moreover, the same scenario has been extended to the vinyl boronic esters, for example, gem‐(Ar, Bpin)‐alkenes, and gem‐(Alkyl, Bpin)‐alkenes. Importantly, this protocol provides a general platform for the late‐stage functionalization of bio‐active and drug molecules containing a carboxylic acid group.
An Extremely Stable Interprotein Tetrahedral Hg(Cys)4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH
Authors: Łuczkowski Marek , Padjasek Michał , Ba Tran Józef , Hemmingsen Lars , Kerber Olga , Habjanič Jelena , Freisinger Eva , Krężel Artur
Published: October 2022

In nature, thiolate‐based systems are the primary targets of divalent mercury (HgII) toxicity. The formation of Hg(Cys)x cores in catalytic and structural protein centers mediates mercury's toxic effects and ultimately leads to cellular damage. Multiple studies have revealed distinct HgII‐thiolate coordination preferences, among which linear HgII complexes are the most commonly observed in solution at physiological pH. Trigonal or tetrahedral geometries are formed at basic pH or in tight intraprotein Cys‐rich metal sites. So far, no interprotein tetrahedral HgII complex formed at neutral pH has been reported. Rad50 protein is a part of the multiprotein MRN complex, a major player in DNA damage‐repair processes. Its central region consists of a conserved CXXC motif that enables dimerization of two Rad50 molecules by coordinating ZnII. Dimerized motifs form a unique interprotein zinc hook domain (Hk) that is critical for the biological activity of the MRN. Using a series of length‐differentiated peptide models of the Pyrococcus furiosus zinc hook domain, we investigated its interaction with HgII. Using UV‐Vis, CD, PAC, and 199Hg NMR spectroscopies as well as anisotropy decay, we discovered that all Rad50 fragments preferentially form homodimeric Hg(Hk)2 species with a distorted tetrahedral HgS4 coordination environment at physiological pH; this is the first example of an interprotein mercury site displaying tetrahedral geometry in solution. At higher HgII content, monomeric HgHk complexes with linear geometry are formed. The Hg(Cys)4 core of Rad50 is extremely stable and does not compete with cyanides, NAC, or DTT. Applying ITC, we found that the stability constant of the Rad50 Hg(Hk)2 complex is approximately three orders of magnitude higher than those of the strongest HgII complexes known to date.
Histogram modification based pansharpening by using differential evolution algorithm
Authors: Palancıoğlu Hacı Mustafa
Published: October 2022

Optic geo‐observer satellites acquire multispectral images (MSI) with low spatial resolution and panchromatic images (PAN) with high spatial resolution, due to communication band‐limits and the necessity of using on‐board energy efficiently. Histogram modification is an image processing method that alters the intensity values of an image to improve contrast. The Histogram Modification based Pansharpening (HMP) method has been proposed in this article for injecting high‐resolution spatial information of PAN into MSI with limited color degeneration to generate a pansharpened image (PSI). The differential evolution algorithm (DE) has been used to optimize the internal parameters of the HMP. HMP uses three different blind‐image quality metrics to avoid from artificial spectral and spatial defects generally appeared in PSI. The quality of PSI generated by HMP has been statistically compared to the PSIs produced by 17 different pansharpening methods by using 10 different image quality metrics. In the tests performed, three different test image sets acquired by geo‐observation satellites have been used. Test image sets are covering the areas with different spatial and spectral characteristics. HMP outperforms the other state‐of‐the‐art pansharpening methods used in this article, according to the statistical analysis results. HMP is highly effective at reliably preserving spectral and spatial fidelity.
Fault‐tolerance based on augmenting approach in wireless sensor networks
Authors: Belkadi Khadidja , Lehsaini Mohamed , Tahraoui Mohammed Amin
Published: October 2022

A critical node is a sensor whose failure causes loss of connectivity and network fragmentation. In wireless sensor networks, the failure of a critical node, like the failure of all sensor nodes, can be caused by energy depletion or physical failure. To overcome the problem of failure of such nodes, this article proposes a fault‐tolerant strategy that allows a routing protocol to tolerate the failure of a critical node. The proposed strategy is carried out in two phases. In the first phase, a hybrid genetic algorithm with a local search heuristic called genetic algorithm‐critical node problem (GA‐CNP) is used to select the critical nodes and in the second phase, an algorithm called Aug‐CNP is involved to deal with the augmentation problem by deploying additional wireless edges to preserve network connectivity in case of critical node failure. Our proposal has been developed using the OMNET++ simulator, evaluated, and compared to the AODV protocol. The simulation results showed that the GA‐CNP algorithm selects the critical nodes whose failure can degrade the network lifetime with a rate of 40%. Moreover, the Aug‐CNP algorithm applied to the AODV protocol brings improvements in terms of network lifetime which reaches 22% compared to the traditional AODV protocol.
Predictors of personal recovery for individuals with schizophrenia spectrum disorders living in the community
Authors: Li Kuan‐yi , Wu Yi‐hui , Chen Hsiang‐yu
Published: October 2022

Introduction

Personal recovery is a complex construct frequently used as outcome measure in people with schizophrenia spectrum disorders. This study examined potential predictors of personal recovery using the two most common assessment tools for people with schizophrenia spectrum disorders living in the community: the Chinese version of the Questionnaire about the Process of Recovery and the Chinese version of the Recovery Assessment Scale.

Methods

Ninety‐one individuals (57 women) diagnosed with schizophrenia spectrum disorders participated in the study (mean age: 47.41 ± 9.41 years). All participants lived in the community and received community psychiatric services. The participants were evaluated via interviews, questionnaires and standardized assessments. Potential predictors included four domains: personal, disease‐related, functional and social. Stepwise multiple linear regression was used to analyse the potential predictors of the recovery and recovery assessment scale.

Results

Resilience and social support were the only significant predictors of the Chinese versions of the Questionnaire about the Process of Recovery and Chinese version of the Recovery Assessment Scale. The primary predictor of the Chinese version of the Questionnaire about the Process of Recovery was social support from family and institutional staff. Conversely, resilience was the major predictor of the Chinese version of the Recovery Assessment Scale.

Discussion

For people with schizophrenia spectrum disorders living in the community, social support and resilience significantly predicted personal recovery. Age, educational level, disease‐related and functional factors were not significant predictors of personal recovery. Therefore, it is important to develop successful personal recovery‐oriented practices that enhance resilience and promote social support.
Numerical simulation of zonal disintegration of surrounding rock in the deep‐buried chamber
Authors: Wang Yukai , Liu Xiaoli , Xiong Yanlin
Published: October 2022

Zonal disintegration is the phenomenon of cyclical rupture zone and nonrupture zone in the surrounding rock of a deep‐buried chamber, which is different from that of a shallow chamber. Based on the finite difference software FLAC3D, the numerical simulation of surrounding rock with different mechanical parameters was conducted by using the SU model (Bilinear Strain‐Softening Ubiquitous‐Joint). The influences of buried depth, cohesion, and internal friction angle of surrounding rock on zonal disintegration were analyzed to reveal the influence law. The results show that: (1) after the chamber excavation, multiple rupture zones gradually extend from the chamber surface or adjacent periphery to the deep surrounding rock. In the extension process, a single rupture zone may be forked into two or even multiple rupture zones, which cross each other and form the zonal disintegration zone. (2) Zonal disintegration is affected by both σ (in situ stress) and Ucs (uniaxial compression strength). Smaller Ucs and larger σ will lead to zonal disintegration. (3) The zoning fracture is not obvious in the case of . In the reverse case, zoning fracture appears remarkably in the surrounding rock around the chamber. These results reveal the influence law of zonal disintegration and provide theoretical support for the design of deep‐buried chambers.
Insights into the phylogeny of the ciliate of class Colpodea based on multigene data
Authors: Li Bailin , Song Yumeng , Hao Tingting , Wang Li , Zheng Weibin , lyu Zhao , Chen Ying , Pan Xuming
Published: October 2022

In the class Colpodea, there are many unresolved evolutionary relationships among taxa. Here, we report 30 new sequences including SSU‐rRNA, ITS1‐5.8S‐ ITS2 rRNA, and the mitochondrial small subunit ribosomal RNA (mtSSU‐rRNA) genes of five colpodeans, and conduct phylogenetic analyses based on each individual gene and a two‐gene concatenated dataset. For the first time, multi‐genes were used to analyze phylogenetic relationships in the class Colpodea. The main findings are: (1) SSU‐rRNA, ITS1‐5.8S‐ ITS2 rRNA, and mtSSU‐rRNA gene sequences of C. reniformis and C. grandis are provided for the first time, and these two species group into the clade including C. inflata, C. lucida, C. cucullus, and C. henneguyi; (2) clustering pattern and morphological similarity indicate that Bresslauides discoideus has a close relation with Colpodidae spp.; (3) Emarginatophrya genus diagnosis is improved to be ‘Hausmanniellidae with sharply shortened and isometric leftmost 1‐4 ciliary rows’ and Colpoda elliotti is transferred to Emarginatophrya; (4) the genus Colpoda is still non‐monophyletic with the addition of 10 populations from five Colpoda species sequences, but there are only two Colpoda groups left based on the present work: Group I comprises C. inflata, C. lucida, C. cucullus, C. henneguyi, C. reniformis, and C. grandis, Group II comprises C. maupasi and C. ecaudata, and the presence of diagonal grooves and the way the vestibular opens might be the two key features that differentiates Colpoda species groups; (5) a close molecular relationship, and highly similar merotelokinetal mode, somatic ciliary pattern, and basic organization of the oral apparatus with P. steinii suggests Bromeliothrix metopoides should be temporarily assigned to Colpodidae.
It's all about food: Environmental factors cause species‐specific dispersal
Authors: Kreuzinger‐Janik Bianca , Gansfort Birgit , Traunspurger Walter , Ptatscheck Christoph
Published: October 2022

Dispersal is a vital component of the life history of nearly all organisms. The ability to disperse determines the distribution and abundance of a species and thus its community dynamic at different sites. The scientific challenge is to design standardized laboratory experiments that not only record the effects of single factors but also include the multicausal nature of dispersal. Here we tested the effect of the environmental factors density, food availability and predation, and the combinations thereof on the dispersal of five free‐living nematode species by performing experiments in two‐patched systems. We hypothesized that emigration is generally positively correlated with the intrinsic rate of natural increase and would decrease with increasing food availability and increase both with the presence of a predator and at higher initial population densities. These predictions were tested both using single‐species tests with laboratory cultures and using intact natural nematode communities to investigate whether environmental factors determine the composition of dispersing species. The results of our study revealed a positive correlation between dispersal and intrinsic growth ability, whereas the studied nematode species differed in their dispersal patterns, both under control conditions and in response to bottom‐up, top‐down, and density‐dependent stimuli. Despite the species‐specific differences in dispersal behavior in response to the environmental factors, the availability of food appeared as the main driver. This was particularly pronounced regarding a natural nematode community. Our experiments emphasize the central role of food availability in spatial structuring nematode communities.
Operationalizing forest‐assisted migration in the context of climate change adaptation: Examples from the eastern USA
Authors: Palik Brian J. , Clark Peter W. , D'Amato Anthony W. , Swanston Chris , Nagel Linda
Published: October 2022

There is increasing momentum to implement conservation and management approaches that adapt forests to climate change so as to sustain ecosystem functions. These range from actions designed to increase the resistance of current composition and structure to negative impacts to those designed to transition forests to substantially different characteristics. A component of many adaptation approaches will likely include assisted migration of future climate‐adapted tree species or genotypes. While forest‐assisted migration (FAM) has been discussed conceptually and examined experimentally for almost a decade, operationalizing FAM (i.e., routine use in forest conservation and management projects) lags behind the acceptance of the need for climate adaptation. As the vulnerability of forest ecosystems in climate change increases, FAM may need to become an integral management tool to reduce long‐term risks to ecosystem function, despite real and perceived barriers for its implementation. Here we discuss the concept of operational‐scale FAM and why it remains a controversial, not yet widely adopted component of climate adaptation. We present three case studies of operational‐scale FAM to illustrate how the practice can be approached pragmatically within an adaptation framework despite the barriers to acceptance. Finally, we discuss a path toward advancing the wide use of operational‐scale FAM.
UK DNA working group eDNA week, January 2022
Authors: Handley Lori Lawson , Blackwell Tabitha , Broadhurst Holly A. , Clark Katie , Davison Phil I. , England Judy , Mariani Stefano , McDevitt Allan D. , Pillay Kirthana , Read Dan , Walsh Kerry , Nisbet Andy , Creer Simon
Published: October 2022

Here, we report on eDNA week, an international conference held online as a five‐day series of webinars from January 17, 2022, to January 21, 2022. The conference was organized by the UK DNA working group, which has witnessed considerable growth and application of eDNA research since its founding and first conference in 2014. The 2022 event, held online due to the COVID‐19 pandemic, provided an opportunity to invite international researchers who are leading the field, without the usual constraints of conference location. Compared with the previous UK‐based in‐person conferences, there was greater international participation amongst the 514 people who registered to attend the event. To emphasize the importance of collaboration between sectors in driving forward DNA monitoring, a session was devoted to presentations by participants from governmental agencies, and another to those from commercial companies developing and utilizing DNA tools. The industry and stakeholder sessions were accompanied by state‐of‐the‐art presentations delivered by a global group of DNA/eDNA researchers from 11 countries. These sessions were complemented by an open forum session for reflection and discussion.
Treated like dirt: Robust forensic and ecological inferences from soil eDNA after challenging sample storage
Authors: Frøslev Tobias Guldberg , Ejrnæs Rasmus , Hansen Anders J. , Bruun Hans Henrik , Nielsen Ida Broman , Ekelund Flemming , Vestergård Mette , Kjøller Rasmus
Published: October 2022

Biodiversity of soil is routinely assessed with environmental DNA—most often by massive parallel sequencing of marker genes (eDNA metabarcoding). Soil biodiversity may be investigated in relation to biodiversity research or as a tool in forensic investigations. After sampling, the taxonomic composition of soil biotic communities may change. In order to minimize community changes, it is desirable to reduce biological activity, e.g., by freezing immediately after sampling. However, this may be impossible due to remoteness of study sites or, in forensic cases, where soil has been attached to an item of interest for protracted periods of time. Here, we investigated the effect of storage duration and conditions on the assessment of the soil biota with eDNA metabarcoding. We extracted eDNA from freshly collected soil samples and again from the same samples after storage under contrasting temperature conditions and contrasting exposure (open/closed tubes). We used four different primer sets targeting bacteria, fungi, protists (cercozoans), and general eukaryotes. We quantified differences in richness, evenness, and community composition. Subsequently, we tested whether we could correctly infer habitat type and original sample identity after storage using a large reference dataset. We found stronger community composition differences with extended storage time and with higher storage temperature, and differences between open and closed tubes. However, for samples stored <28 days at a maximum of 20°C, changes were generally insignificant. Classification models successfully assigned most samples to their exact location of origin and correct habitat type even after 480 days storage. Even samples showing larger changes generally retained the original sample as the best match. For most biodiversity and forensic applications, storage of samples for days and even several weeks may thus not be a problem, if storage temperature does not exceed 20°C.
Long‐term outcomes following catheter ablation versus medical therapy in patients with persistent atrial fibrillation and heart failure with reduced ejection fraction
Authors: Zakeri Rosita , Ahluwalia Nikhil , Tindale Alexander , Omar Fatima , Packer Matthew , Khan Habib , Baker Victoria , Honarbakhsh Shohreh , Earley Mark J. , Sporton Simon , Schilling Richard J. , Jones David , Markides Vias , Hunter Ross J. , Wong Tom ,   on behalf of the ARC‐HF and CAMTAF Investigators
Published: October 2022

Aims

The ARC‐HF and CAMTAF trials randomized patients with persistent atrial fibrillation (AF) and heart failure (HF) to early routine catheter ablation (ER‐CA) versus pharmacological rate control (RC). After trial completion, delayed selective catheter ablation (DS‐CA) was performed where clinically indicated in the RC group. We hypothesized that ER‐CA would result in a lower risk of cardiovascular hospitalization and death versus DS‐CA in this population.

Methods and results

Overall, 102 patients were randomized (age 60 ± 11 years, left ventricular ejection fraction [LVEF] 31 ± 11%): 52 to ER‐CA and 50 to RC. After 12 months, patients undergoing ER‐CA had improved self‐reported symptom scores, lower New York Heart Association class (i.e. better functional capacity), and higher LVEF compared to patients receiving RC alone. During a median follow‐up of 7.8 (interquartile range 3.9–9.9) years, 27 (54%) patients in the RC group underwent DS‐CA and 34 (33.3%) patients died, including 17 (32.7%) randomized to ER‐CA and 17 (34.0%) randomized to RC. Compared with DS‐CA, a strategy of ER‐CA exhibited similar risk of all‐cause mortality (adjusted hazard ratio [aHR] 0.89, 95% confidence interval [CI] 0.44–1.77, p = 0.731) and combined all‐cause mortality or cardiovascular hospitalization (aHR 0.80, 95% CI 0.43–1.47, p = 0.467). However, analyses according to treatment received suggested an association between CA and improved outcomes versus RC (all‐cause mortality: aHR 0.43, 95% CI 0.20–0.91, p = 0.028; all‐cause mortality/cardiovascular hospitalization: aHR 0.48, 95% CI 0.24–0.94, p = 0.031).

Conclusions

In patients with persistent AF and HF, ER‐CA produces similar long‐term outcomes to a DS‐CA strategy. The association between CA as a treatment received and improved outcomes means there is still a lack of clarity regarding the role of early CA in selected patients. Randomized trials are needed to clarify this question.
Reductive Elimination or C−C Bond Activation with Model Ni, Pd, Pt Complexes? A High‐Accuracy Comparative Computational Analysis of Reactivity
Authors: Polynski Mikhail V. , Ananikov Valentine P.
Published: October 2022

The development of Pd‐ and Ni‐catalyzed reactions for C−C bond formation is one of the primary driving forces in modern organic synthesis and the fine chemical industry. However, understanding the role of conformational mobility in reaction mechanisms is a long‐standing challenge. We highlight the effect of a multirotamer (multiconformer) system on the effective Gibbs free energy of activation in the key C−C coupling process and promote the use of a simplified version of multiconformer transition state theory that is straightforward to apply. Multivariate regression helped to quantitatively map the effect of coupled organic substituents (their structural and electronic parameters), as well as to determine the relative activity of metals. We provide computational evidence for solvent control of the equilibrium in RE/C−C‐bond activation for some model complexes. We also demonstrate that Ni complexes, being unique in the catalysis of sp3‐sp3 couplings, can be more challenging for machine learning and computational chemistry. The modeling was performed at an exceptionally high level, DLPNO‐CCSD(T)/CBS//RIJCOSX‐PBE0‐D4/def2‐TZVP. The Conclusions section contains an infographic summarizing the key findings related to the fields of cross‐coupling catalysis, machine learning in catalysis, and computational chemistry.
Unconventional and Sustainable Synthesis of Polymethine Dyes: Critical Overview and Perspectives within the Framework of the Twelve Principles of Green Chemistry
Authors: Antenucci Achille , Nejrotti Stefano , Plata Maria Jesus Moran , Mariotti Nicole , Barbero Nadia
Published: October 2022

Time, energy, and cost saving; waste reduction; health and safety preservation represent true milestones of green chemistry, as well as some of the most important aspects for the industrial synthesis of molecules having relevant technological applications. Herein, in the light of the non‐conventional and sustainable approaches towards polymethine dyes that appeared in the literature in the last decade, the twelve principles of green chemistry serve as a guideline for a critical overview of such protocols. The E factor and the EcoScale score for the considered procedures are also assessed, to provide numerical parameters for the evaluation of their impact.
Electrochemical Metal‐Catalyzed Azidoesterification of Alkenes
Authors: Zhou Kehan , Lv Chenglei , Fu Niankai
Published: October 2022

We report an efficient and sustainable electrocatalytic approach for azidoesterification of alkenes. The reaction proceeds by electrochemical iron‐catalyzed oxidation of commercially available carbazates to produce alkoxycarbonyl radicals. Upon addition across alkenes, the generated transient carbon‐centered radicals get trapped by azido metal complexes to furnish the alkene difunctionalization products. This mild, operationally simple protocol transforms a wide variety of alkenes into the corresponding β‐azido esters in good to excellent yields, thereby providing a practical access to β‐amino acid derivatives from simple and readily available starting materials.
On the seismic behaviour of monolithic lunar arches subjected to moonquakes
Authors: Kalapodis Nicos , Zalachoris Georgios , Ktenidou Olga‐Joan , Kampas Georgios
Published: October 2022

With a new era emerging in the field of lunar exploration and habitation, there is a need for research on structural forms made of local soil material (regolith), which will be able to endure the extreme conditions in harsh environments (e.g., extreme temperature fluctuations, solar and cosmic radiation, meteor showers, strong ground motions, etc.). The present work focuses on understanding the dynamic and seismic behaviour of certain structural typologies of monolithic arches by means of finite element analysis (FEA). These typologies were extensively investigated previously, using static analyses accounting for the reduced gravitational field on the moon, and proved to be of the optimum shape against certain loading scenarios. Specifically, these optimal monolithic arch forms (named enhanced varying‐thickness arches – EVTAs) examined herewith, are described by varying‐thickness geometry, properly enhanced at certain weak points for increasing their structural stability. Aiming at a fair comparison, the seismic behaviour of EVTAs is contrasted to that of their corresponding monolithic constant‐thickness (CTAs) counterparts (having the same amount of structural material). After defining an appropriate damage state, the authors conduct preliminary pushover analyses to determine the structural capacity of the arches against lateral loading. Subsequently, the modal analysis of the EVTAs shows that the second/vertical mode exhibits a natural period almost equal to that of their first/translational mode and substantially longer than the corresponding second/vertical mode of their CTA counterparts, indicating a potential vulnerability along the vertical excitation. Furthermore, taking into account that shallow moonquakes are comparable to intraplate earthquakes in terms of hazard potential, the authors produce sets of stochastic seismic excitations used as time histories for seismic analyses. The probability of exceedance of the defined damage state as a function of the peak ground acceleration (PGA) is presented through indicative fragility curves, where the structural superiority of EVTAs against their CTA counterparts is demonstrated.
Aromatic potential, quality and antioxidant activity of saffron grown in Morocco
Authors: Kabiri Ghizlane , Hssaini Lahcen , Naim Nadia , Houmanat Karim , Ennahli Said , Fauconnier Marie‐Laure , Hanine Hafida
Published: October 2022

Saffron is a spice derived from the flower of Crocus sativus L., which has a special aroma, colour and odour influencing positively its economic value. In this context, ten saffron ecotypes were screened for their biochemical composition and antioxidant activity. The samples were also analysed using GC‐MS and LC‐MS to determine their content of volatile and phenolic compounds, respectively. The results revealed statistically significant differences among samples based on moisture (9.09%‐11.23%), total phenols (31.62‐62.71 mg EAG/g), total flavonoids (23.02‐40.02 mg ER/mg), total carotenoids (66.12‐155.05 μg/g), picrocrocin (88.99‐121.53), crocin (137.44‐228.39) and safranal (26.56‐53.04). The radical scavenging activity ranged from 17.09% to 29.53% for DPPH assay, and oscillated from 0.128 mmol AAE/g to 0.239 mmol AAE/g for ABTS test, while the ferric reducing antioxidant potency (FRAP) varied from 0.974 to 1.989 mmol Fe2+/g. Gas chromatography‐mass spectrometry (GC‐MS) analysis identified 66 volatile compounds, among which the Safranal and Isophorone were the most abondant. The ES1 from Taliouine recorded a very distinct volatile composition compared to the others ecotypes with 22 authentic volatile compounds. Moreover, liquid chromatography‐ mass spectrometry (LC‐MS) analysis revealed 14 phenolic compounds with picrocrocin and crocin were found to be the major compounds. The principal component analysis classified the investigated ecotypes into two mean distinctive sets with ES1 and ES9 were distinguished as a single items. The α‐pinene, β‐pinene, limonene, anethole, acetic acid, ketoisophorone, isophorone, safranal, thymoquinone, total flavonoids, FRAP and total carotenoids, are the main discriminant variables. The two‐dimensional analysis of the clustered heatmaps divided showed a relatively similar patterns as the principal component analysis (PCA) and confirmed the singularity of the sample ES1 based on its particular volatile profile dominated mainly by α‐terpinyl acetate, methyleugenol, copaene, anethole, limonene, methyl‐cyclopentane, which were not identified in the other samples even at minor levels. These findings herein found revealed the high quality of Moroccan saffron, which is very important for the species breeding and valorization.
Expanding the spectrum of GLI1‐altered mesenchymal tumors—A high‐grade uterine sarcoma harboring a novel PAMR1::GLI1 fusion and literature review of GLI1‐altered mesenchymal neoplasms of the gynecologic tract
Authors: Punjabi Lavisha S. , Goh Chin Hong Ronald , Sittampalam Kesavan
Published: October 2022

GLI1‐altered mesenchymal tumors comprise a group of seemingly unrelated entities, including pericytoma with t(7;12) translocation, plexiform fibromyxoma, gastroblastoma, malignant epithelioid neoplasm with GLI1 rearrangements, and GLI1‐amplified mesenchymal neoplasms. Herein, we report a high‐grade uterine sarcoma harboring a novel PAMR1::GLI1 fusion and present a literature review of GLI1‐altered mesenchymal neoplasms of the gynecologic tract. A 57‐year‐old female presented with an abdomino‐pelvic mass, felt since a decade prior. Magnetic resonance imaging showed a heterogenous myometrial mass extending beyond the serosa. The patient underwent oncologic surgical resection. Gross examination revealed a perforated multi‐nodular uterine tumor (21 cm) with a firm white and soft fleshy cut surface, featuring hemorrhage and necrosis. The tumor was morphologically heterogenous, disclosing frankly sarcomatous areas composed of pleomorphic spindle and focally epithelioid cells, intermingled with a component of low‐grade spindle cells arranged in fascicles. There was a rich vascular network and zones of necrosis with peripheral amianthoid‐like collagen plaques. Lymphovascular invasion and metastasis to lymph nodes and omentum were present. The tumor was immunopositive for CD10 and cyclinD1, and negative for cytokeratins, myogenic, melanotic, and hormonal markers. ArcherTM Fusion Sarcoma Assay detected PAMR1(exon1)::GLI1(exon4) fusion, confirmed on RT‐PCR and Sanger sequencing. The patient received chemo‐radiotherapy, however, developed metastatic recurrence and demised 18 months post‐surgery. Altogether, this is a rare and diagnostically challenging case of a uterine sarcoma harboring a novel GLI1 fusion. Emerging GLI/Hedgehog inhibitors provide clinical relevance to recognizing these tumors in modern pathology.
Predictive models demonstrate age‐dependent association of subcortical volumes and cognitive measures
Authors: Weerasekera Akila , Ion‐Mărgineanu Adrian , Green Christopher , Mody Maria , Nolan Garry P.
Published: October 2022

Whether brain matter volume is correlated with cognitive functioning and higher intelligence is controversial. We explored this relationship by analysis of data collected on 193 healthy young and older adults through the “Leipzig Study for Mind–Body–Emotion Interactions” (LEMON) study. Our analysis involved four cognitive measures: fluid intelligence, crystallized intelligence, cognitive flexibility, and working memory. Brain subregion volumes were determined by magnetic resonance imaging. We normalized each subregion volume to the estimated total intracranial volume and conducted training simulations to compare the predictive power of normalized volumes of large regions of the brain (i.e., gray matter, cortical white matter, and cerebrospinal fluid), normalized subcortical volumes, and combined normalized volumes of large brain regions and normalized subcortical volumes. Statistical tests showed significant differences in the performance accuracy and feature importance of the subregion volumes in predicting cognitive skills for young and older adults. Random forest feature selection analysis showed that cortical white matter was the key feature in predicting fluid intelligence in both young and older adults. In young adults, crystallized intelligence was best predicted by caudate nucleus, thalamus, pallidum, and nucleus accumbens volumes, whereas putamen, amygdala, nucleus accumbens, and hippocampus volumes were selected for older adults. Cognitive flexibility was best predicted by the caudate, nucleus accumbens, and hippocampus in young adults and caudate and amygdala in older adults. Finally, working memory was best predicted by the putamen, pallidum, and nucleus accumbens in the younger group, whereas amygdala and hippocampus volumes were predictive in the older group. Thus, machine learning predictive models demonstrated an age‐dependent association between subcortical volumes and cognitive measures. These approaches may be useful in predicting the likelihood of age‐related cognitive decline and in testing of approaches for targeted improvement of cognitive functioning in older adults.
Risk of nonalcoholic fatty liver disease and associations with gastrointestinal cancers
Authors: McHenry Scott , Zong Xiaoyu , Shi Mengyao , Fritz Cassandra D.L , Pedersen Katrina S. , Peterson Linda R. , Lee Jeffrey K. , Fields Ryan C. , Davidson Nicholas O. , Cao Yin
Published: October 2022

Metabolic syndrome may contribute to the rising incidence of multiple gastrointestinal (GI) cancers in recent birth cohorts. However, other than hepatocellular carcinoma, the association between nonalcoholic fatty liver disease (NAFLD) and risk of non‐liver GI cancers is unexplored. We prospectively examined the associations of NAFLD risk with GI cancers among 319,290 participants in the UK Biobank (2006–2019). Baseline risk for NAFLD was estimated using the Dallas Steatosis Index, a validated prediction tool. Multivariable Cox models were used to estimate relative risks (RRs) and 95% confidence intervals (CIs) according to NAFLD risk categories: low (<20%), intermediate (20%–49%), and high (≥50%). We also examined the associations by age of cancer diagnosis (earlier onset [<60] vs. ≥60). A total of 273 incident liver cancer and 4789 non‐liver GI cancer cases were diagnosed. Compared with individuals at low risk for NAFLD, those at high risk had 2.41‐fold risk of liver cancer (RR = 2.41, 95% CI: 1.73–3.35) and 23% increased risk of non‐liver GI cancers (RR = 1.23, 95% CI: 1.14–1.32) (all p
trend < 0.001). Stronger associations were observed for men and individuals who were obese (all p
interaction < 0.05). NAFLD‐associated elevated risk was stronger for earlier‐onset cancers. For each 25% increase in NAFLD risk, the RRs for earlier‐onset cancers were 1.32 (95% CI: 1.05–1.66) for esophageal cancer, 1.35 (95% CI: 1.06–1.72) for gastric cancer, 1.34 (95% CI: 1.09–1.65) for pancreatic cancer, and 1.10 (95% CI: 1.01–1.20) for colorectal cancer. Conclusion: NAFLD risk was associated with an increased risk of liver and most GI cancers, especially those of earlier onset.
Cortical response induced by task‐oriented training of the upper limb in subacute stroke patients as assessed by functional near‐infrared spectroscopy
Authors: Huo Congcong , Xu Gongcheng , Sun Aiping , Xie Hui , Hu Xiaoling , Li Wenhao , Li Zengyong , Fan Yubo
Published: October 2022

Despite the popularity of task‐oriented training for stroke, the cortical reorganization associated with this type of therapy remains to be fully elucidated due to the lack of dynamic assessment tools. A good tolerance for motion artifacts makes functional near‐infrared spectroscopy (fNIRS) suitable for investigating task‐induced cortical responses in stroke patients. Here, patients were randomly assigned to receive task oriented (n = 25) or cyclic rotary training (n = 25) with simultaneous cortical activation and effective connectivity network analysis between prefrontal and motor cortices (PFC/MC). Compared with cyclic rotary training, task‐oriented training induced significantly increased activation in both hemispheres and enhanced influence of PFC on MC. In addition, significantly decreased activation lateralization and increased betweenness centrality of the contralesional MC suggested widespread involvement of the contralesional hemisphere during task‐oriented training. This study verifies the feasibility of fNIRS combined with motor paradigms for assessing neural responses associated with stroke rehabilitation in real time.
Cerium oxide nanoparticles exert antitumor effects and enhance paclitaxel toxicity and activity against breast cancer cells
Authors: Atlı Şekeroğlu Zülal , Şekeroğlu Vedat , Aydın Birsen , Kontaş Yedier Seval
Published: October 2022

Cerium oxide nanoparticles (CeONPs) displayed cytotoxic properties against some cancer cells. However, there is very limited data about the possible antitumoral potential of them in breast cancer cells when used alone and/or together with a chemotherapeutic drug. We investigated the effects of CeONPs alone or in combination with paclitaxel (PAC) on healthy or carcinoma breast cells. After human breast cancer cells (MCF‐7) treated with CeONPs alone or together with PAC for 24, 48, and 72 h, the effects of CeONPs on cell viability, apoptosis, migration, and adhesion were investigated. All cell viability and IC50 values of CeONPs and PAC treatments in healthy breast cells (HTERT‐HME1) were higher than MCF‐7 cells. They showed higher cytotoxicity against MCF‐7 cells. CeONPs (10, 20, and 30 mM) and/or abraxane (AB) (2 μM) significantly decreased cell viability values in MCF‐7 cells. All CeONPs concentrations increased the number of apoptotic MCF‐7 cells. CeONPs (20 and 30 mM) alone or in combination with AB for 72 h treatment also significantly increased the apoptosis in compared to AB alone. CeONPs and/or AB can significantly inhibit the migratory ability of breast cancer cells. The migration rates in co‐treated groups with CeONPs and AB were lower than CeONPs treatments. Higher concentrations of CeONPs alone or together with AB inhibited cell adhesion. Our results showed CeONPs can increase cytotoxicity and apoptosis and decrease cell migration and cell adhesion when used alone or together with AB. Therefore, combination of chemotherapeutics with CeONPs may provide a good strategy against cancer.
Assessment of lower limb trophism in fetuses with open spina bifida using fractional thigh volume of three‐dimensional ultrasound
Authors: Milani Hérbene José Figuinha , Barreto Enoch Quinderé de Sá , Araujo Júnior Edward , Cavalheiro Sérgio , Barbosa Maurício Mendes , Peixoto Alberto Borges , Moron Antonio Fernandes
Published: October 2022

Objective

To assess the trophism of the lower limbs of fetuses with open spina bifida using fractional thigh volume (TVOL) of three‐dimensional (3D) ultrasound.

Methods

A prospective cross‐sectional study was carried out with normal fetuses and with open spina bifida (myelomeningocele and rachischisis) at 26 weeks' gestation. The TVOL (delimitation of five cross‐sectional areas of the middle portion of the limb) was evaluated, as well as the subjective assessment of hypotrophy and lower limb movement.

Results

Thirty‐one fetuses with open spina bifida, 21 with myelomeningocele and 10 with rachischisis, and 51 normal fetuses were included. There were no significant differences in the TVOL between normal and spina bifida fetuses (p = 0.623), as well as between normal fetuses, with myelomeningocele and with rachischisis (p = 0.148). There was no significant difference in the TVOL of fetuses with spina bifida with or without lower limb hypotrophy (p = 0.148). Fetuses with spina bifida and with lower limb movement had higher TVOL values than fetuses without lower limb movement (p = 0.002).

Conclusion

There were no significant differences in the TVOL measurement of normal and spina bifida fetuses (rachischisis and myelomeningocele). Fetuses with spina bifida without spontaneous movement of the lower limbs had lower TVOL values.
Child internalizing and externalizing behaviors: Interplay between maternal depressive symptoms and child inhibitory control
Authors: Hermansen Tone K. , Syrstad Kari E. , Røysamb Espen , Melinder Annika M. D.
Published: October 2022

Maternal depression is a risk factor for child internalizing and externalizing behaviors. Aiming to investigate the moderating role of child inhibitory control on this relationship, we invited a sub‐sample of dyads from the Norwegian Mother, Father, and Child Cohort study (MoBa) for a lab‐based assessment (N = 92,Mage = 68 months, Range = 59–80, 50% girls). Maternal depression was assessed using the Beck Depression Inventory (BDI‐II), while child behaviors were measured using the Child Behavior Check List, and inhibitory control using a child friendly version of the Flanker‐task. As expected, higher levels of concurrent maternal depressive symptoms predicted higher levels of child internalizing and externalizing behaviors. Importantly, and in line with our predictions, child inhibitory control moderated the association. Lower levels of inhibitory control predicted a stronger association between concurrent maternal depressive symptoms and child behavioral outcomes. The results support prior research suggesting that concurrent maternal depression poses a risk for child development, and highlight that children with lower levels of inhibitory control are more vulnerable to negative environmental influences. These findings contribute to our understanding of the complexity of parental mental health issues on child development and suggest avenues for personalized treatment programs for families and children at risk.
Morphological and multifractal properties of Cr thin films deposited onto different substrates
Authors: Zelati Amir , Mardani Mohsen , Rezaee Sahar , Matos Robert S. , Pires Marcelo A. , da Fonseca Filho Henrique D. , Das Abhijeet , Hafezi Fatemeh , Rad Ghasem Amraee , Kumar Sanjeev , Ţălu Ştefan
Published: October 2022

In this study, the morphological properties and micro‐roughness of chromium thin film prepared by thermal evaporation technique and confirmed via EDS analysis are examined on different substrates of BK7, Silicon (Si), and glass using atomic force microscope analysis (AFM). Analysis of amplitude parameters, Minkowski functionals, and films' spatial microtexture extracted from AFM analysis showed the difference between glass substrate and the other two (BK7 and Si) substrates for the growth of chromium thin films. In addition, we observed robust signatures of multifractality of the Cr thin films deposited on all substrates we studied. Moreover, we highlight that the Glass substrates displayed the strongest multifractality indicating that such samples present space filling properties distributed over more spatial scales than the samples of BK7 and Si.
Recommendations for diagnosing and managing individuals with glutaric aciduria type 1: Third revision
Authors: Boy Nikolas , Mühlhausen Chris , Maier Esther M. , Ballhausen Diana , Baumgartner Matthias R. , Beblo Skadi , Burgard Peter , Chapman Kimberly A. , Dobbelaere Dries , Heringer‐Seifert Jana , Fleissner Sandra , Grohmann‐Held Karina , Hahn Gabriele , Harting Inga , Hoffmann Georg F. , Jochum Frank , Karall Daniela , Konstantopoulous Vassiliki , Krawinkel Michael B. , Lindner Martin , Märtner E. M. Charlotte , Nuoffer Jean‐Marc , Okun Jürgen G. , Plecko Barbara , Posset Roland , Sahm Katja , Scholl‐Bürgi Sabine , Thimm Eva , Walter Magdalena , Williams Monique , vom Dahl Stephan , Ziagaki Athanasia , Zschocke Johannes , Kölker Stefan
Published: October 2022

Glutaric aciduria type 1 is a rare inherited neurometabolic disorder of lysine metabolism caused by pathogenic gene variations in GCDH (cytogenic location: 19p13.13), resulting in deficiency of mitochondrial glutaryl‐CoA dehydrogenase (GCDH) and, consequently, accumulation of glutaric acid, 3‐hydroxyglutaric acid, glutaconic acid and glutarylcarnitine detectable by gas chromatography/mass spectrometry (organic acids) and tandem mass spectrometry (acylcarnitines). Depending on residual GCDH activity, biochemical high and low excreting phenotypes have been defined. Most untreated individuals present with acute onset of striatal damage before age 3 (to 6) years, precipitated by infectious diseases, fever or surgery, resulting in irreversible, mostly dystonic movement disorder with limited life expectancy. In some patients, striatal damage develops insidiously. In recent years, the clinical phenotype has been extended by the finding of extrastriatal abnormalities and cognitive dysfunction, preferably in the high excreter group, as well as chronic kidney failure. Newborn screening is the prerequisite for pre‐symptomatic start of metabolic treatment with low lysine diet, carnitine supplementation and intensified emergency treatment during catabolic episodes, which, in combination, have substantially improved neurologic outcome. In contrast, start of treatment after onset of symptoms cannot reverse existing motor dysfunction caused by striatal damage. Dietary treatment can be relaxed after the vulnerable period for striatal damage, that is, age 6 years. However, impact of dietary relaxation on long‐term outcomes is still unclear. This third revision of evidence‐based recommendations aims to re‐evaluate previous recommendations (Boy et al., J Inherit Metab Dis, 2017;40(1):75–101; Kolker et al., J Inherit Metab Dis 2011;34(3):677–694; Kolker et al., J Inherit Metab Dis, 2007;30(1):5–22) and to implement new research findings on the evolving phenotypic diversity as well as the impact of non‐interventional variables and treatment quality on clinical outcomes.
Characterization of cellular phenotypes in neurons derived from induced pluripotent stem cells of male patients with Fabry disease
Authors: Miyajima Takashi , Saito Ryo , Yanagisawa Hiroko , Igarashi Miki , Wu Chen , Iwamoto Takeo , Eto Yoshikatsu
Published: October 2022

Fabry disease (FD) is an X‐linked inherited lysosomal metabolism disorder in which globotriaosylceramide (Gb3) accumulates in various organs resulting from a deficiency in alpha‐galactosidase A. The clinical features of FD include progressive impairments of the renal, cardiac, and peripheral nervous systems. In addition, patients with FD often develop neuropsychiatric symptoms, such as depression and dementia, which are believed to be induced by the cellular injury of cerebrovascular and partially neuronal cells due to Gb3 accumulation. Although the analysis of autopsy brain tissue from patients with FD showed no accumulation of Gb3, abnormal deposits of Gb3 were found in the neurons of several brain areas, including the hippocampus. Therefore, in this study, we generated induced pluripotent stem cells (iPSCs) from patients with FD and differentiated them into neuronal cells to investigate pathological and biological changes in the neurons of FD. Neural stem cells (NSCs) and neurons were successfully differentiated from the iPSCs we generated; however, cellular damage and morphological changes were not found in these cells. Immunostaining revealed no Gb3 accumulation in NSCs and neurons. Transmission electron microscopy did not reveal any zebra body‐like structures or inclusion bodies, which are characteristic of FD. These results indicated that neuronal cells derived from FD‐iPSCs exhibited normal morphology and no Gb3 accumulation. It is likely that more in vivo environment‐like cultures are needed for iPSC‐derived neurons to reproduce disease‐specific features.