bluuebunny/crossref_metadata_2025 huggingface dataset:
High‐Throughput Diversification of Complex Bioactive Molecules by Accelerated Synthesis in Microdroplets
Authors: Huang Kai‐Hung , Morato Nicolás M. , Feng Yunfei , Cooks R. Graham
Published: March 2023

Late‐stage diversification of drug molecules is an important strategy in drug discovery that can be facilitated by reaction screening using high‐throughput experimentation. Here we present a rapid method for functionalizing bioactive molecules based on accelerated reactions in microdroplets. Reaction mixtures are nebulized at throughputs better than 1 reaction/second and the accelerated reactions occurring in the microdroplets are followed by desorption electrospray ionization mass spectrometry (DESI‐MS). Because the accelerated reactions occur on the millisecond timescale, they allow an overall screening throughput of 1 Hz working at the low nanogram scale. Using this approach, an opioid agonist (PZM21) and an antagonist (naloxone) were diversified using three reactions important in medicinal chemistry: sulfur fluoride exchange (SuFEx) click reactions, imine formation reactions, and ene‐type click reactions. Some 269 functionalized analogs of naloxone and PZM21 were generated and characterized by tandem mass spectrometry (MS/MS) after screening over 500 reactions.
Two‐dimensional Supramolecular Polymers Based on Selectively Recognized Aromatic Cation‐π and Donor‐Acceptor Motifs for Photocatalytic Hydrogen Evolution
Authors: Gao Zhao , Shi Lulu , Yan Fei , Han Yifei , Yuan Wei , Tian Wei
Published: March 2023

Two‐dimensional (2D) organic polymers have recently received considerable interest, especially those whose architectures are held together via supramolecular engineering. However, current approaches toward supramolecular 2D structures usually suffer from mutual interference of noncovalent interactions and lack of intrinsic functions. Herein, we report well‐regulated 2D supramolecular polymers (2DSPs) through an aromatics‐selective recognition strategy of cation‐π and donor‐acceptor (D‐A) motifs, which are derived from C4‐symmetric cationic monomers and electron‐withdrawing molecules. By subtly designing the strength and direction of noncovalent driving forces, the mutual interference between cation‐π and D‐A interactions is effectively avoided, enabling the construction of 2DSPs in aqueous solution. On this basis, the resultant 2DSPs possess boosted photocatalytic hydrogen evolution activity at a rate of 600 μmol g−1 h−1, which is mainly ascribed to the specific stacking mode of cation‐π/D‐A motifs and the ordered 2D structures.
Multiple Leaf Sample Extraction System (MuLES): A tool to improve automated morphometric leaf studies
Authors: Bowman Christian S. , Traband Ryan , Wang Xuesong , Knowles Sara P. , Lo Sassoum , Jia Zhenyu , Vorsa Nicholi , Herniter Ira A.
Published: March 2023

Premise

The measurement of leaf morphometric parameters from digital images can be time‐consuming or restrictive when using digital image analysis softwares. The Multiple Leaf Sample Extraction System (MuLES) is a new tool that enables high‐throughput leaf shape analysis with minimal user input or prerequisites, such as coding knowledge or image modification.

Methods and Results

MuLES uses contrasting pixel color values to distinguish between leaf objects and their background area, eliminating the need for color threshold–based methods or color correction cards typically required in other software methods. The leaf morphometric parameters measured by this software, especially leaf aspect ratio, were able to distinguish between large populations of different accessions for the same species in a high‐throughput manner.

Conclusions

MuLES provides a simple method for the rapid measurement of leaf morphometric parameters in large plant populations from digital images and demonstrates the ability of leaf aspect ratio to distinguish between closely related plant types.
The clinical and sleep manifestations in children with FOXG1 syndrome
Authors: Wong Lee‐Chin , Huang Cheng‐Hsien , Chou Wan‐Yun , Hsu Chia‐Jui , Tsai Wen‐Che , Lee Wang‐Tso
Published: March 2023

FOXG1 syndrome is a rare neurodevelopmental disorder associated with severe cognitive dysfunction, autistic behavior, and early‐onset hyperkinetic movement disorders. Patients have also been reported to experience sleep disturbances. However, these findings are mainly based on subjective caregivers' reports, and limited by small case numbers. Moreover, no studies using objective evaluation tools, such as actigraphy, have been reported. We analyzed the clinical and sleep manifestations of children with FOXG1 syndrome registered in the FOXG1 Research Foundation Patient Registry database. A total of 258 individuals with FOXG1 syndrome were included in this research. 132 (51.16%) had sleep disturbances. The more impaired of language acquisitions (absence of speech, OR: 3.99, 95%CI = 1.69–9.42, p = 0.002), hyperkinetic movement disorders (OR: 2.64, 95%CI = 1.34‐5.20 p = 0.005) and feeding difficulties (OR: 2.81, 95% CI = 1.52–5.19, p = 0.001) were significantly associated with an increase in odds of sleep disturbance after adjusting for age, sex, and antiepileptic drugs. We also performed sleep studies on six individuals with FOXG1 syndrome using The Children's Sleep Habits Questionnaire (CSHQ), the Sleep Disturbance Scale for Children (SDSC), and 7‐day data from Actiwatch. The Pittsburgh Sleep Quality Index (PSQI) and 7‐day data from Actiwatch were also used to evaluate the sleep condition of their parents. The CSHQ scores revealed bedtime resistance, sleep onset delay, sleep duration, sleep anxiety, night‐waking, and parasomnia. Sleep–wake transition disorders and disorders of initiating and maintaining sleep were also suggested by the SDSC scores. The children's actigraphy revealed short sleep durations, impaired sleep efficiency, longer wake after sleep onset, and frequent night‐waking. All caregivers reported significantly higher PSQI scores, mildly declined sleep efficiency, and shorter total sleep duration. Sleep disturbances, especially in initiating and maintaining sleep, are common in individuals with FOXG1 syndrome and their caregivers. Sleep disorders in patients with FOXG1 syndrome and their caregivers should be investigated.
Eye‐tracking measures of social versus nonsocial attention are related to level of social engagement during naturalistic caregiver‐child interactions in autistic children
Authors: Wall Carla A. , Sabatos‐DeVito Maura , Franz Lauren , Howard Jill , Major Samantha , Bey Alexandra , Dawson Geraldine
Published: March 2023

Eye‐tracking (ET) measures indexing social attention have been proposed as sensitive measures related to autism, but less is known about the relationship between social and nonsocial attention and naturalistic measures of social engagement and whether sex moderates this relationship. This study investigated ET measures of social attention as predictors of social engagement during a naturalistic caregiver‐child interaction (CCI). Participants included 132, 2‐7‐year‐old autistic children (77% male) and their caregivers. Participants engaged in a CCI and an ET task in which they viewed a video of an actor making dyadic bids toward the child with toys in the background. Pearson correlations and multiple regression analyzes revealed that ET measures correlated with social engagement behaviors, including degree of attention to the caregiver and objects, joint engagement with the caregiver, and language‐based joint engagement. Children who spent more time looking at toys were more likely to be unengaged during social interaction. Those who spent more time looking at the actor's mouth were more likely to engage in coordinated play with and without language. Sex moderated the relationship between time looking at toys and unengagement during play; males who spent more time looking at toys spent more time unengaged during play, whereas females who spent more time looking at toys spent less time unengaged during play. Overall, ET measures of social and nonsocial attention correlated with the level of social engagement during naturalistic play, with some sex differences. Eye‐tracking measures that predict interaction patterns may provide insight into promoting social engagement between caregivers and their autistic children and can inform outcome monitoring and intervention development.
Adaptation and social interaction among Africans in Hong Kong: The role of assimilation and integration
Authors: Agyenim‐Boateng Raymond
Published: March 2023

Promoting cross‐cultural adaptation and social interactions among diverse cultural groups in multicultural societies has long been a focus of social and cross‐cultural psychologists. However, such research is scant in an East Asian context where acculturation and intercultural encounters are now taking place. This study examines how acculturation expectations and strategies of assimilation and integration of the host majority (Hongkongers; N = 476) and immigrant groups (Africans; N = 215) shape adaptation and social interaction in the sociocultural context of Hong Kong. The mediation roles of perceived discrimination and multicultural ideologies were tested in these relationships. The results revealed that integration strategies are linked with psychological adaptation, whereas assimilation is linked with sociocultural adaptation difficulties for the immigrant group. For the host majority group, assimilation expectations were related to increased sociocultural adaptation difficulty, while a negative relationship emerged between integration expectations and sociocultural adaptation difficulty. Additional mediation analyses demonstrated that perceived discrimination and multicultural ideologies explain a significant proportion of variance in acculturation orientations and the intention to avoid interactions with the respective cultural groups. Theoretical and practical implications of the findings for Africans and Hongkongers relationship are discussed. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Editorial: Challenging injustice: Understanding upstanding, civic action, and bystander intervention to promote justice
Authors: Mulvey Kelly Lynn , Hope Elan C. , Vezzali Loris
Published: March 2023

Throughout history, individuals and communities have come together to challenge injustice in the local community and across the globe. In recent years, we have seen communities rally together to advocate for changes in policy and practice to address injustices faced by marginalized and disenfranchised groups of people. For instance, communities have taken action through the Movement for Black Lives in the United States, the women's uprising in Iran following the death of Mahsa Amini, and the pro‐democracy protests in Hong Kong. These challenges to social injustices are not only led by adults. Rather, youth engage in civic action to amplify the voices of those who are marginalized, isolated, or victimized and frequently organize to protest injustice and foster collective action through social media or other technology. These challenges to injustice often arise from community‐led efforts, rooted in the unique contexts and histories of the local community. This special issue considers challenging injustice broadly to include bystander intervention in instances of bullying, harassment, or aggression, political and civic engagement, anti‐racist or anti‐oppression activism, and resistance to injustice in institutions and communities. Three overarching themes are featured in this special issue: (1) work examining bullying experiences and factors that motivate bystander intervention in response to bullying; (2) scholarship exploring identity, socialization, and critical action and (3) research focused on collective action and challenging inequalities.
Xanchryones I−N, Six Unusual Phloroglucinol‐Amino Acid Hybrids from the Leaves of Xanthostemon chrysanthus
Authors: Liu Fen , Chen Mei‐Hong , Hu Yan‐Xia , Zhan Qiong , Zhang Jin‐Yan , Zhang Zi‐Yue , Wang Si‐Si , Ye Wen‐Cai , Wang Lei
Published: March 2023

Six new phloroglucinol derivatives, xanchryones I−N (1–6), were isolated from the leaves of Xanthostemon chrysanthus. Compounds 1–6 are unusual phloroglucinol‐amino acid hybrids constructed through C2−N and O−C1′ bonds forming a peculiar oxazole ring. The structures and absolute configurations of compounds 1–6 were determined by MS, NMR, and single‐crystal X‐ray diffraction. Moreover, the anti‐inflammatory and antibacterial activities of these compounds were evaluated.
Biological and Medicinal Chemistry in Africa
Authors: Veale Clinton G. L. , Olomola Temitope O. , Chellan Prinessa , Edkins Adrienne L.
Published: March 2023

The young, fast‐growing population of Africa means that harnessing the economic benefits of scientific research is critical to sustained and equitable growth in the continent. Moreover, the whole world would benefit from the added intellectual contribution that would come from nurturing African science. The high burden of neglected diseases in Africa makes chemical biology a particularly important field. In this editorial, the reconvergence of science conducted at the interface of chemistry and biology is placed in the context of African participation, its importance to global science and the unique blend of supporting and hindering factors that influence African scientific contributions. The new Biological and Medicinal Chemistry in Africa special collection showcases a broad spectrum of African chemical biology.
Structural Characterization and Extended Substrate Scope Analysis of Two Mg2+‐Dependent O‐Methyltransferases from Bacteria**
Authors: Sokolova Nika , Zhang Lili , Deravi Sadaf , Oerlemans Rick , Groves Matthew R. , Haslinger Kristina
Published: March 2023

Oxygen‐directed methylation is a ubiquitous tailoring reaction in natural product pathways catalysed by O‐methyltransferases (OMTs). Promiscuous OMT biocatalysts are thus a valuable asset in the toolkit for sustainable synthesis and optimization of known bioactive scaffolds for drug development. Here, we characterized the enzymatic properties and substrate scope of two bacterial OMTs from Desulforomonas acetoxidans and Streptomyces avermitilis and determined their crystal structures. Both OMTs methylated a wide range of catechol‐like substrates, including flavonoids, coumarins, hydroxybenzoic acids, and their respective aldehydes, an anthraquinone and an indole. One enzyme also accepted a steroid. The product range included pharmaceutically relevant compounds such as (iso)fraxidin, iso(scopoletin), chrysoeriol, alizarin 1‐methyl ether, and 2‐methoxyestradiol. Interestingly, certain non‐catechol flavonoids and hydroxybenzoic acids were also methylated. This study expands the knowledge on substrate preference and structural diversity of bacterial catechol OMTs and paves the way for their use in (combinatorial) pathway engineering.
Deciphering the Mechanistic Basis for Perfluoroalkyl‐Protein Interactions
Authors: Lawanprasert Atip , Sloand Janna N. , González Vargas Mariangely , Singh Harminder , Eldor Tomer , Miller Michael A. , Pimcharoen Sopida , Wang Jian , Leighow Scott M. , Pritchard Justin R. , Dokholyan Nikolay V. , Medina Scott H.
Published: March 2023

Although rarely used in nature, fluorine has emerged as an important elemental ingredient in the design of proteins with altered folding, stability, oligomerization propensities, and bioactivity. Adding to the molecular modification toolbox, here we report the ability of privileged perfluorinated amphiphiles to noncovalently decorate proteins to alter their conformational plasticity and potentiate their dispersion into fluorous phases. Employing a complementary suite of biophysical, in‐silico and in‐vitro approaches, we establish structure‐activity relationships defining these phenomena and investigate their impact on protein structural dynamics and intracellular trafficking. Notably, we show that the lead compound, perfluorononanoic acid, is 106 times more potent in inducing non‐native protein secondary structure in select proteins than is the well‐known helix inducer trifluoroethanol, and also significantly enhances the cellular uptake of complexed proteins. These findings could advance the rational design of fluorinated proteins, inform on potential modes of toxicity for perfluoroalkyl substances, and guide the development of fluorine‐modified biologics with desirable functional properties for drug discovery and delivery applications.
Commentary on “Impact of lesion length on the outcomes of chronic total occlusion percutaneous coronary intervention: Insights from the PROGRESS‐CTO registry”
Authors: Ryan Nicola , Alasnag Mirvat
Published: March 2023

Key Points

The results of this analysis suggest that long CTO lesions (≥20 mm) are associated with lower technical success and higher in‐hospital MACE independent of other predictors of CTO outcomes

Adds additional data to allow operators discuss the individualised risks and benefits of CTO‐PCI

Future studies required prospective core lab analysis of lesion length and outcomes.
An Immobilised Silicon‐Carbon Bond‐Forming Enzyme for Anaerobic Flow Biocatalysis
Authors: Gallus Sabrina , Mittmann Esther , Weber Annika J. , Peng Martin , Niemeyer Christof M. , Rabe Kersten S.
Published: March 2023

The recent development of tailored cytochrome enzymes has enabled “new‐to‐nature” reactivities, such as the biocatalytic formation of carbon‐silicon bonds using the cytochrome c from Rhodothermus marinus. To maximise the potential of this remarkable biocatalyst by increasing its turnover numbers (TON) and to enable its reusability in continuous processes, we report the use of the SpyTag/SpyCatcher bioconjugation system to immobilise this enzyme. We successfully modified the enzyme with a SpyTag without significant effects on its catalytic activity. Even after immobilization on microparticles the enzyme retained 60 % activity. When the immobilized enzyme was used in sequential batch or continuous flow to produce an organosilicon, we observed up to 6‐fold higher turnover numbers over a total period of 10 days compared to the free enzyme reaction, however we observed a drop in stereoselectivity under these conditions. This is the first report on the successful immobilisation of a carbon‐silicon bond forming enzyme for the continuous, biocatalytic production of organosilicons.
A Thermodynamic Model for the Insertion Electrochemistry of Battery Cathodes
Authors: Malaie Keyvan , Scholz Fritz , Schröder Uwe
Published: March 2023

Invited for this issue's Front Cover is the group of Prof. Dr. Uwe Schröder. The cover picture shows a crystal layer of nickel hydroxide that undergoes phase separation during electrochemical ion deinsertion (oxidation) and the corresponding modelled cyclic voltammogram. Read the full text of the Research Article at 10.1002/celc.202201118.
Chiral H‐aggregation‐induced large stokes shift with CPL generation assisted by α‐helical poly(L‐lysine) substructure
Authors: Yoshida Kyohei , Kuwahara Yutaka , Hano Nanami , Horie Yumi , Takafuji Makoto , Ryu Naoya , Nagaoka Shoji , Oda Reiko , Ihara Hirotaka
Published: March 2023

Fluorescent materials with large Stokes shifts have significant potential for use in optical applications. Typically, a synthetic design strategy is utilized for this purpose. In this study, we demonstrated a novel method by binding a chiral template to a nonchiral fluorescent agent without chemical modification. Specifically, α‐helical poly(L‐lysine) was employed as the chiral template, which interacted with a disulfonic fluorescent dye, such as NK2751. The dye caused excimer luminescence by inducing the formation of a chirally H‐aggregated dimer only when poly(L‐lysine) was in an α‐helical shape. The result was a Stokes shift of 230 nm. Similar effects were not observed when the chiral template was in a random coil condition and the Stokes shift was less than 40 nm. These findings imply that H‐aggregated dimerization, which often results in quenching, permits the electronic transitions necessary for fluorescence events by the formation of the chirally twisted state. In addition, we introduce for the first time the generation of circularly polarized luminescence using the chirality induction phenomena in a dye supported by poly(L‐lysine).
Fusing perylene diimide with helicenes
Authors: Bao Si Tong , Jiang Haoyu , Jin Zexin , Nuckolls Colin
Published: March 2023

Incorporating perylene diimide (PDI) units into helicene structures has become a useful strategy for giving access to non‐planar electron acceptors as well as a method of creating molecules with unique and intriguing chiroptical properties. This minireview describes this fusion of PDIs with helicenes.
Association between posttreatment α‐fetoprotein reduction and outcomes in real‐world US patients with advanced hepatocellular carcinoma
Authors: Abou‐Alfa Ghassan K. , Wang Xiaoliang , Parrinello Christina M. , Gossai Anala , Kim Richard , Magee Kelly , Miksad Rebecca A.
Published: March 2023

Background

Clinical trials suggest α‐fetoprotein (AFP) reduction may be prognostic among patients with advanced hepatocellular carcinoma. However, the association of AFP reduction with outcomes in real‐world settings is unclear.

Methods

Patients with advanced hepatocellular carcinoma between January 1, 2011, and June 30, 2021, first‐line tyrosine kinase inhibitor, and baseline and posttreatment AFP values (closest to 8 ± 2 weeks after first‐line initiation) were included. AFP reduction was defined as ≥20% decrease from baseline vs <20% or no decrease. Real‐world overall survival and progression‐free survival (rwPFS) were defined as time from posttreatment AFP measurement to death, and the first progression event or death, respectively. Adjusted hazard ratios (aHRs) were estimated using Cox proportional hazards models adjusted for potential confounders and baseline AFP. Effect modification by baseline AFP and hepatocellular carcinoma risk factors was assessed.

Results

Among 533 patients, median baseline AFP was higher in those with AFP reduction than those without (N = 166, 210 µg/L vs N = 367, 150 µg/L). There was a 35% decrease in hazard of death for patients with reduction vs without (aHR = 0.65; 95% CI, 0.52–0.81; median, 10.3 vs 5.9 months). Results were similar for rwPFS (aHR = 0.66; 95% CI, 0.54–0.81; median, 4.6 vs 2.6 months). AFP reduction was associated with better outcomes among patients with baseline AFP ≥400 µg/L or with history of hepatitis B virus, hepatitis C virus, or alcohol use. Only the interaction between baseline AFP and reduction in association with rwPFS was statistically significant.

Conclusions

For certain etiologies, posttreatment AFP change may be more important than baseline AFP for prognosis. Further work should characterize the prognostic implications of longitudinal AFP changes during treatment.

Plain Language Summary

The prognostic value of the change in α‐fetoprotein (AFP) concentration after treatment initiation is less established, particularly in real‐world settings.

Longitudinal data from a large nationwide cohort of patients with advanced hepatocellular carcinoma (HCC) treated with first‐line tyrosine kinase inhibitor in routine practice revealed that ≥20% reduction in posttreatment AFP levels was associated with better real‐world overall survival and progression‐free survival after adjusting for baseline AFP levels and other factors.

The results also suggested that the associations may be stronger among patients with a history of HCC risk factors (e.g., hepatitis C virus, alcohol) or with higher baseline AFP levels.
Preparation and Properties of Pyrotechnic Binder Encapsulated α‐AlH3 Composites by Solvent/Anti‐solvent Method
Authors: Shi Zhe , Lu Taojie , Hu Yinghui , Xu Yidong , Wang Xuwen , Wu Zhuo , Zheng Jian , Zhang Jian , Zhu Zhaoyang , Lin Kaifeng , Yang Yulin
Published: March 2023

Alpha‐aluminum hydride (α‐AlH3) is an ideal energetic combustion agent, but its poor stability and safety limit its application. Therefore, we prepare different composites by using the solvent/anti‐solvent method to coat different pyrotechnic binders on the surface of α‐AlH3. The vacuum stability test show that the minimum outgassing of Shellac‐coated α‐AlH3 composite is only 1.2 mL/g at 50 °C for 6 days. Due to the good electrical insulation properties of Viton, Viton‐coated α‐AlH3 composite have the highest E50 value of electrostatic sensitivity. In addition, the pyrotechnic binders coating not only protects the activity of the α‐AlH3 but also effectively increases its burning rate. Viton‐coated α‐AlH3 composite have more gaseous products and maximum flame area during combustion. This study illustrates that α‐AlH3 coated with pyrotechnic binders is a means to address its stability and safety, laying the foundation for its application in solid propellants.
The Ability of CO2 Capture on Transition Metal‐modified 1T′‐MoS2 Monolayers Controlled by an Electric Field
Authors: Tong Tianyue , Linghu Yaoyao , Wu Chao
Published: March 2023

Herein, we evaluate the CO2 capture ability on the transition metal‐modified 1T′‐MoS2 monolayers (TM@1T′‐MoS2, TM represents a transition metal atom from 3d to 4d except Y, Tc and Cd) under different external electric fields via first‐principles calculations. As the screened results revealed that Mo@1T′‐MoS2, Cu@1T′‐MoS2 and Sc@1T′‐MoS2 monolayers possess higher sensitivity for electric field than pristine 1T′‐MoS2 monolayer. Among the above candidates, Mo@1T′‐MoS2 and Cu@1T′‐MoS2 monolayers only require the electric field strength of 0.002 a.u. to reversibly capture CO2 and can absorb up to four CO2 molecules with the electric field of 0.004 a.u. Furthermore, Mo@1T′‐MoS2 can selectively capture CO2 molecule from the mixture of CH4 and CO2. Our findings not only provide useful insights that the synergistic effect of electric field and transition metal doping is beneficial for CO2 capture and separation, but also guide the application of 1T′‐MoS2 in the field of gas capture.
Enhanced Singlet Oxygen Generation via Near‐Infrared Photo‐Activated Upconversion: Application to Amyloid Fibril Degradation
Authors: Ishibashi Kohei , Kitajima Hiromasa , Nishiguchi Hiroyasu , Hifumi Emi , Harada Takunori
Published: March 2023

In this study, we attempted to improve the quantum yield of upconversion nanoparticles to achieve high efficiency of amyloid fibril decomposition cascade induced by near‐infrared‐active upconversion nanoparticles complexed with photosensitizers. The effects of the solvothermal reaction time on the crystalline phase of polyethylenimine‐coated NaYF4 : Yb3+/Er3+ were studied, while maintaining constant reaction temperature and concentration of the dopants Yb3+ and Er3+. We found that an increased reaction time resulted in the conversion of the crystalline phase from the cubic α‐ to hexagonal β‐forms with a higher upconversion quantum yield. In addition, the prolonged reaction time effectively increased the ratio of green (2H11/2 and 4S3/2→4I15/2) to red (4F9/2→4I15/2) emissions, increasing the 1O2 generation via photosensitization to approximately 10 times that of conventional ones. Consequently, the efficiency of the amyloid fibril decomposition cascade induced by upconversion nanoparticles complexed with photosensitizers was improved.
Not only climate: The importance of biotic interactions in shaping species distributions at macro scales
Authors: Cosentino Francesca , Seamark Ernest Charles James , Van Cakenberghe Victor , Maiorano Luigi
Published: March 2023

Abiotic factors are usually considered key drivers of species distribution at macro scales, while biotic interactions are mostly used at local scales. A few studies have explored the role of biotic interactions at macro scales, but all considered a limited number of species and obligate interactions. We examine the role of biotic interactions in large‐scale SDMs by testing two main hypotheses: (1) biotic factors in SDMs can have an important role at continental scale; (2) the inclusion of biotic factors in large‐scale SDMs is important also for generalist species. We used a maximum entropy algorithm to model the distribution of 177 bat species in Africa calibrating two SDMs for each species: one considering only abiotic variables (noBIO‐SDMs) and the other (BIO‐SDMs) including also biotic variables (trophic resource richness). We focused the interpretation of our results on variable importance and response curves. For each species, we also compared the potential distribution measuring the percentage of change between the two models in each pixel of the study area. All models gave AUC >0.7, with values on average higher in BIO‐SDMs compared to noBIO‐SDMs. Trophic resources showed an importance overall higher level than all abiotic predictors in most of the species (~68%), including generalist species. Response curves were highly interpretable in all models, confirming the ecological reliability of our models. Model comparison between the two models showed a change in potential distribution for more than 80% of the species, particularly in tropical forests and shrublands. Our results highlight the importance of considering biotic interactions in SDMs at macro scales. We demonstrated that a generic biotic proxy can be important for modeling species distribution when species‐specific data are not available, but we envision that a multi‐scale analysis combined with a better knowledge of the species might provide a better understanding of the role of biotic interactions.
Unfolding the potential of dragon fruit (Hylocereus spp.) for value addition: A review
Authors: Tarte Indrayani , Singh Anurag , Dar Aamir Hussain , Sharma Arun , Altaf Aayeena , Sharma Poonam
Published: March 2023

Dragon fruit (DF) or Pitaya (Hylocereus spp.) a member of Cactaceae family is gaining popularity in the market for consumption of fresh fruit due to its highly attractive fruit color with nutritional and immense bioactive potential that reduces blood sugar level, cholesterol, prevention of liver injuries, cancer, and so forth. In commercial market valorized products of DFs are available. The processing of edible and nonedible parts of DF is of immense significance to prepare nutritionally rich value‐added products and concurrently reducing the challenges occurring due to waste generation and spoilage. This review paper provides detailed insights of DF processing into different value‐added products, its medicinal benefits, bioactive potential, and the physico‐chemical changes occurring in DF during processing such as drying, fermentation, extraction, and so forth.
In:SnO2/Yb2S3:Cu2S:ZnS: A Rare Earth Metal Sulfide‐Conjugated Transition Metal Sulfide Photoactive Electrode
Authors: Gul Mahwash Mahar , Ahmad Khuram Shahzad , Thomas Andrew Guy , Ali Daoud
Published: March 2023

Spin coating from a single source precursor is used to produce a transparent conductive electrode for a photoelectrochemical cell. Yb2S3:Cu2S:ZnS is discovered in the composite using X‐ray diffraction analysis with a crystallite size of 44 nm. Energy‐dispersive X‐ray analysis and X‐ray photoelectron spectroscopy reveal that the composite comprises Yb, Cu, Zn, and S with an optical bandgap of 2.49 eV. Electrical investigations in a photoelectrochemical cell are measured using cyclic voltammetry, linear sweep voltammetry, transient chronoamperometry (CA), and electrical impedance spectroscopy (EIS). Every experiment shows that the photocurrent density of the electrode is higher than when it is in the light. At all scan rates, light causes the photoelectrode's specific capacitance to increase. Specific capacitance is found to have a maximum value under illumination of 789 Fg−1as opposed to 745 Fg−1in the absence of a light source. The highest photocurrent density achieved by the electrode through CA is 23.5 mA.Rsvalue of 23.4 Ω is subsequently obtained by the EIS investigation. It might be stated that this work introduces a useful photoelectrode that can be used in renewable energy systems such as photovoltaics, supercapacitors, and photoelectrochemical solar cells.
Investigation into the heat transfer models for the hot crude oil transportation in a long‐buried pipeline
Authors: Yuan Qing , Luo Yiyang , Shi Teng , Gao Yuyao , Wei Jinjia , Yu Bo , Chen Yujie
Published: March 2023

Based on reasonable simplifications of a two‐dimensional (2D) energy equation, a basic heat transfer equation in 1D form is obtained for the hot crude oil transportation in a long‐buried pipeline. To enclose the heat transfer equation, the overall heat transfer coefficient and the numerical simulation of temperature fields of pipe wall and soil are introduced, and they together with the basic heat transfer equation constitute 1D and cross‐dimensional heat transfer models of crude oil transportation, respectively. Some numerical procedures, including grid generation, partial differential equation discretization, and algebraic equation solution, are combined to solve the two heat transfer models. Based on the designed cases with different pipeline parameters, the relative deviation between the numerical results from the two heat transfer models does not exceed 1%, and the two heat transfer models agree well. Furthermore, the nonuniform natural soil temperature field is designed, and its influence on the oil temperature and the deviation of the 1D heat transfer model is investigated. Under the condition of the nonuniform natural soil temperature field, the atmospheric temperature as the ambient temperature in the 1D heat transfer model causes an apparent deviation, whereas the soil temperature at the buried depth of the pipeline in the natural soil temperature field as the ambient temperature does not. This study can provide a reference for the reasonable selection and use of the heat transfer models of the buried hot oil pipeline.
The Neonicotinoid Imidacloprid Impairs Learning, Locomotor Activity Levels, and Sucrose Solution Consumption in Bumblebees (Bombus terrestris)
Authors: Paus-Knudsen Julie Sørlie , Sveinsson Henrik Andersen , Grung Merete , Borgå Katrine , Nielsen Anders
Published: March 2023

Bumblebees carry out the complex task of foraging to provide for their colonies. They also conduct pollination, an ecosystem service of high importance to both wild plants and entomophilous crops. Insecticides can alter different aspects of bumblebee foraging behavior, including the motivation to leave the hive, finding the right flowers, handling flowers, and the ability to return to the colony. In the present study, we assessed how the neonicotinoid imidacloprid affects bumblebees' foraging behavior after exposure to four different treatment levels, including field-realistic concentrations (0 [control], 1, 10, and 100 μg/L), through sucrose solution over 9 days. We observed the behavior of several free-flying bumblebees simultaneously foraging on artificial flowers in a flight arena to register the bees' complex behavior postexposure. To conduct a detailed assessment of how insecticides affect bumblebee locomotor behavior, we used video cameras and analyzed the recordings using computer vision. We found that imidacloprid impaired learning and locomotor activity level when the bumblebees foraged on artificial flowers. We also found that imidacloprid exposure reduced sucrose solution intake and storage. By using automated analyses of video recordings of bumblebee behavior, we identified sublethal effects of imidacloprid exposure at field-realistic doses. Specifically, we observed negative impacts on consumption of sucrose solution as well as on learning and locomotor activity level. Our results highlight the need for more multimodal approaches when assessing the sublethal effects of insecticides and plant protection products in general. Environ Toxicol Chem 2023;42:1337–1345. © 2023 SETAC
Improved Quality of Service by canine olfactory route finding algorithm for Vehicular Ad Hoc Network
Authors: Ghosh Sreya , Saha Misra Iti , Chakraborty Tamal
Published: March 2023

QoS aware vehicular ad‐hoc network (VANET) routing protocols address the increasing demand for delay‐sensitive vehicular applications to establish intelligent transportation. Primary challenge with ad‐hoc nature of VANET is that the communication between vehicle‐to‐vehicle and vehicle‐to‐infrastructure is prone to link failure. Bio‐inspired algorithms offer robust solutions to secure VANET links. Accordingly in this article, novel canine olfactory route‐finding algorithm (CORFA) is proposed for VANET to achieve the best possible route with the minimum transmission of packets, which ensures enhanced QoS. The underlying architecture utilizes the exceptional ability of canines to evaluate and memorize the environment and pass the message to neighbors. It makes canines a great choice to model their behavior for VANET routing. RSUs are fundamental components of VANET that supply contents to the proceeding vehicles from their cache. As RSUs carry out information dissemination tasks efficiently, the already traversed and discovered routing paths in the recent past can be cached in RSU's storage and through back‐haul can be circulated to neighboring RSUs. Vehicles request the pre‐cached route and use them for data transmission. Thereby avoiding the route discovery and maintenance procedure reduces the routing overhead. In absence of a pre‐cached route, the fittest vehicle from each hop is selected as next forwarder for packet transmission. The proposed routing algorithm forms multiple routes during route discovery to handle link failure scenario. Traffic simulator, SUMO is used to generate the mobility model and integrated with MATLAB for analysing the performance of CORFA with related geographical and topological routing protocols that confirm the performance superiority of CORFA under several metrics such as packet delivery ratio, network latency, throughput, and overhead.
A comprehensive re‐look into Jurassic‐Cretaceous Neotethyan active margin in Iran: Evidence of deep mantle flow into subduction magma factory and formation of transitional basalts
Authors: Esna‐Ashari Amir , Hassanzadeh Jamshid
Published: March 2023

Subduction zones display the most diverse magma compositions from various calc‐alkaline differentiates to alkaline mafic associations, but mechanisms generating Nb‐Enriched Basalts (NEB) and High‐Nb Basalts (HNB) in such settings have received less attention from the researchers. Occurrences of NEB and HNB magmas in the Mesozoic Neotethyan active margin in Iran, known as the Sanandaj‐Sirjan Zone, provide an excellent natural lab for examining this interesting petrologic puzzle. The Middle‐Jurassic typical calc‐alkaline arc plutons exhibit a NW‐SE subduction parallel trend. In the northwestern sector of the zone, the Late Jurassic–Early Cretaceous magmatic rocks (JCMR) define a chain that transects the Middle‐Jurassic arc trend. The two cross‐cutting magmatic chains are chemically and genetically different. The JCMR include three distinct compositional groups: (i) tholeiites that are depleted in high‐field‐strength elements (HFSE) and show subduction‐related geochemical fingerprints, (ii) NEB with higher abundances of Nb and other HFSE, and (iii) HNB with the highest abundances of Nb and other HFSE. The latter two groups do not display typical arc signatures and are transitional between arc and plume‐type magmas. These three groups of rocks show linear major and trace element, and Sr–Nd isotopic variation trends extending from Mid‐Ocean Ridge Basalts‐like tholeiites to Oceanic Island Basalts‐like HNB. Hence, a two‐component mixing process is suggested for explaining the compositional variation of the JCMR. We propose that a vertical window resulted from slab tear created the geodynamic environment for juxtaposition of magmas originated at different mantle depths and formation of the transitional basalts by magma mixing.
Sentinel node identification in laryngeal and pharyngeal carcinoma after flexible endoscopy‐guided tracer injection under topical anesthesia: A feasibility study
Authors: Driessen Daphne A. J. J. , Arens Anne I. J. , Dijkema Tim , Weijs Willem L. J. , Draaijer Lisette C. , van den Broek Guido B. , Takes Robert P. , Honings Jimmie , Kaanders Johannes H. A. M.
Published: March 2023

Background

The aim of this study was to investigate the feasibility of flexible endoscopy‐guided tracer injection for sentinel lymph node (SLN) identification in patients with laryngeal and pharyngeal carcinoma.

Methods

Sixteen cT1‐4N0‐2M0 patients with laryngeal or pharyngeal carcinoma underwent intra‐ and peritumoral [99mTc]Tc‐nanocolloid injections after topical anesthesia under endoscopic guidance. SPECT–CT scans were performed at two time points.

Results

Tracer injection and visualization of SLNs was successful in 15/16 (94%) patients. Median number of tracer injections was 1 intratumoral and 3 peritumoral. The median duration of the endoscopic procedure including tracer injection after biopsy taking was 7 min (range 4–16 min). A total of 28 SLNs were identified which were all visualized on the early and late SPECT–CT. Most SLNs were visualized in neck levels II and III.

Conclusions

Flexible endoscopy‐guided tracer injection for SLN identification is a feasible and fast procedure in laryngeal and pharyngeal carcinoma patients.
Tetrel‐Centered Exchange Cascades to Decouple Inhibition and Induction of Thiol‐Mediated Uptake: Introducing Cell‐Penetrating Thiolactones, Focus on Reversible Michael Acceptor Dimers
Authors: Lim Bumhee , Sakai Naomi , Matile Stefan
Published: March 2023

This study adds thiolactones to the collection of cascade exchangers (CAXs) and reports with dynamic covalent Michael acceptor dimers the first CAXs that rather inhibit than enable thiol‐mediated uptake. The superior performance of dimers compared to monomeric Michael acceptors as inhibitors might suggest that top inhibitors move along thiol/ate arrays without losing covalent contact, while cell penetrators exchange along disulfide arrays. This decoupling of inhibition and induction of thiol‐mediated uptake is important because the latter is promising for drug delivery, while the former possibly helps to reveal targets associated with antiviral, antithrombotic and antitumor activity, leading to drug discovery. These results are consistent with the working model of thiol‐mediated uptake as a general complex network in charge of bringing matter into cells, and thus support its validity.
Cardiovascular risk factors and pericardial fat volume as predictors of coronary atherosclerosis burden in postmenopausal women: A retrospective, single center study
Authors: Nafakhi Hussein , Al‐Mosawi Abdulameer A. , Alkhalil Qais Q. Malik
Published: March 2023

Background and Aims

Little is known about the clinical relevance of pericardial fat volume (PFV), compared to other conventional cardiovascular risk factors, as predictors of coronary atherosclerosis severity among postmenopausal women. Our main aim was to assess the association of PFV and cardiovascular risk factors with coronary atherosclerosis burden, including occlusive coronary artery disease (CAD) (luminal stenosis >50%), coronary artery calcium score (CAC) >100, and plaque types in postmenopausal women.

Methods

Patients who had chest pain of angina and referred for 64‐slice multi‐detector CT (MDCT) angiography examination to exclude occlusive CAD presence were enrolled in this retrospective study.

Results

A total of 241 women with absence of menses for more than 2 consecutive years and not taking hormone replacement therapy were enrolled in the present study. Increased PFV (OR [CI] = 1.1 [1−1.3], p = 0.004), age (OR [CI] = 1.1 [1−1.4], p = 0.002), and diabetes mellitus (OR [CI] = 2 [1−4], p = 0.025) were significant predictors of occlusive CAD presence. Increased PFV (OR [CI] = 1.1 [1−1.4], p = 0.017) and increased age (OR [CI] = 1.2 [1.1−1.4], p < 0.001) were better predictors of CAC >100 than other cardiovascular risk factors. Regarding coronary plaque types, increased age (OR [CI] = 1.1 [1.1−1.3], p = 0.001) showed a significant association with coronary calcified plaque presence while increased body mass index(OR [CI] = 1.2 [1−1.4], p = 0.018) showed a significant association with coronary non‐calcified plaque presence.

Conclusion

Higher PFV values showed an independent association with occlusive CAD and significant coronary calcification. This may imply that increased PFV is likely associated with the development of advanced and severe phenotype of coronary atherosclerosis among postmenopausal women with suspected CAD.
A novel homozygous synonymous splicing variant in SELENOI gene causes spastic paraplegia 81
Authors: Sarma Asodu Sandeep , Siddardha Bathula , T Pragna Lakshmi , Ranganath Prajnya , Dalal Ashwin
Published: March 2023

Background

Hereditary spastic paraplegia 81 is a recently identified, rare autosomal recessive disease, caused by biallelic pathogenic variants in the SELENOI gene, with only two families reported to date. The features documented in the two previous affected families include sensorineural deafness, blindness, cleft palate, delayed motor development, regression of motor skills, impaired intellectual development, poor speech and language acquisition, spasticity, hyperreflexia, white matter abnormalities and cerebral and cerebellar atrophy.

Methods

In the present study, we performed exome sequencing analysis in a single family with two affected siblings to identify the genetic cause of complicated hereditary spastic paraplegia. The results were further confirmed by Sanger sequencing, cDNA analysis and 3D protein modelling.

Results

Exome sequencing identified a homozygous, synonymous variant in the SELENOI gene (NM_033505.4:c.126G>A:p.(Lys42Lys)) in both of the siblings. Sanger sequencing confirmed the heterozygous status in both parents consistent with the autosomal recessive inheritance. This variant has been found to disrupt normal splicing and lead to skipping of exon 2, causing in‐frame deletion of SELENOI N‐terminal 23 amino acids [NM_033505.4:c.57_126del:p.(Tyr20_Lys42del)] and further leading to structural changes in the protein.

Conclusions

We report a novel homozygous synonymous variant in the SELENOI gene causing abnormal splicing in two patients affected with hereditary spastic paraplegia 81. This report further expands the phenotypic and genotypic spectrum of hereditary spastic paraplegia 81.
Rectilinear approximation and volume estimates for hereditary bodies via [0, 1]‐decorated containers
Authors: Falgas‐Ravry Victor , Hancock Robert , Strömberg Johanna , Uzzell Andrew
Published: March 2023

We use the hypergraph container theory of Balogh–Morris–Samotij and Saxton–Thomason to obtain general rectilinear approximations and volume estimates for sequences of bodies closed under certain families of projections. We give a number of applications of our results, including a multicolour generalisation of a theorem of Hatami, Janson and Szegedy on the entropy of graph limits. Finally, we raise a number of questions on geometric and analytic approaches to containers.
ZDP(n) ${Z}_{DP}(n)$ is bounded above by n2−(n+3)∕2 ${n}^{2}-(n+3)\unicode{x02215}2$
Authors: Zhang Meiqiao , Dong Fengming
Published: March 2023

In 2018, Dvořák and Postle introduced a generalization of proper coloring, the so‐called DP‐coloring. For any graph , the DP‐chromatic number of is defined analogously with the chromatic number of . In this article, we show that holds for , where is the join of and a complete graph with vertices. As a result, holds for every integer , where is the minimum nonnegative integer such that holds for every graph with vertices. Our result improves the best current upper bound of due to Bernshteyn, Kostochka, and Zhu.