bluuebunny/crossref_metadata_2025 huggingface dataset:
Mass transfer to a nanoelectrocatalyst
Authors: Robinson Klaudia Mata , Jordan Matthew , Wiesner Theodore F.
Published: August 2024

There are few studies of mass transfer to nanospheres (1 nm ≤ dp ≤ 100 nm). We have experimentally investigated the electrocatalytic reduction of hexacyanoferrate (III) to hexacyanoferrate (II) on gold nanospheres. The surface flux is insensitive to particle sizes of dp ≥ 30 nm and is essentially identical to that for a diffusion‐limited system. However, the measured fluxes in the range 5 nm ≤ dp ≤ 30 nm were one to three orders of magnitude smaller than predicted by a purely diffusion‐limited model. Using mathematical modeling, we evaluated six mechanisms affecting mass transfer to a nanoparticle in our experimental system. Among potential acceleratory effects, the curvature effect sharply increased the surface flux by a factor of 20. Other acceleratory effects of Brownian advection and enhanced surface reactivity played negligible roles, the latter due to screening by a charged stabilizing layer. Deceleratory effects of increased tortuosity by stabilizing layers and particle aggregation also played negligible roles. Electrostatic repulsion dominated mass transfer for dp ≤ 30 nm. This finding suggests tuning the charge and the tortuosity of the stabilizer layer to potentiate the flux will be useful in engineering nanosuspensions.
Modeling and experimental study on a photochemical microscale continuous oscillatory baffled reactor
Authors: Liu Peiwen , Zhu Weiping , Zhao Fang
Published: August 2024

Herein, the first photochemical microscale continuous oscillatory baffled reactor, that is, Photo‐μCOBR, was designed and evaluated. Computational fluid dynamics simulations were used to optimize the key structural parameter and operating conditions. Then, the mixing process was simulated and the μCOBR was shown to be more than 23 times faster than the straight channel both under oscillating conditions. Finally, a glass Photo‐μCOBR was fabricated by femtosecond laser internal engraving technology, and the photocatalytic gas–liquid oxidation of dihydroartemisinic acid was performed. A yield of 65.9% was achieved in a residence time of ~120 s and at a gas–liquid flow rate ratio of 1:3 (vs. 18.6% in the capillary photomicroreactor under identical conditions). The results in this work offer guidelines for the design and operation of microscale COBRs, and the as‐fabricated Photo‐μCOBR displays good potential for gas–liquid photochemical reactions.
Little evidence for homoeologous gene conversion and homoeologous exchange events in Gossypium allopolyploids
Authors: Conover Justin L. , Grover Corrinne E. , Sharbrough Joel , Sloan Daniel B. , Peterson Daniel G. , Wendel Jonathan F.
Published: August 2024

Premise

A complicating factor in analyzing allopolyploid genomes is the possibility of physical interactions between homoeologous chromosomes during meiosis, resulting in either crossover (homoeologous exchanges) or non‐crossover products (homoeologous gene conversion). Homoeologous gene conversion was first described in cotton by comparing SNP patterns in sequences from two diploid progenitors with those from the allopolyploid subgenomes. These analyses, however, did not explicitly consider other evolutionary scenarios that may give rise to similar SNP patterns as homoeologous gene conversion, creating uncertainties about the reality of the inferred gene conversion events.

Methods

Here, we use an expanded phylogenetic sampling of high‐quality genome assemblies from seven allopolyploid Gossypium species (all derived from the same polyploidy event), four diploid species (two closely related to each subgenome), and a diploid outgroup to derive a robust method for identifying potential genomic regions of gene conversion and homoeologous exchange.

Results

We found little evidence for homoeologous gene conversion in allopolyploid cottons, and that only two of the 40 best‐supported events were shared by more than one species. We did, however, reveal a single, shared homoeologous exchange event at one end of chromosome 1, which occurred shortly after allopolyploidization but prior to divergence of the descendant species.

Conclusions

Overall, our analyses demonstrated that homoeologous gene conversion and homoeologous exchanges are uncommon in Gossypium, affecting between zero and 24 genes per subgenome (0.0–0.065%) across the seven species. More generally, we highlighted the potential problems of using simple four‐taxon tests to investigate patterns of homoeologous gene conversion in established allopolyploids.
Post‐operative outcomes of primary benign orbital tumor resection are independent of tumor size and morphology
Authors: Zhu Angela S. , Bartholomew Ryan A. , Zhao Yan , Mitchell Margaret B. , Bleier Benjamin S. , Ringel Barak
Published: August 2024

Key points

Using 3D modeling, we studied the influence of orbital tumor morphology on post‐operative outcomes.

Orbital tumor volume did not influence postoperative complication rates.

Less spherical tumors may be correlated with a more extensive surgical approach.
Interfacial Electronic Interactions Promoted Activation for Nitrate Electroreduction to Ammonia over Ag‐Modified Co3O4
Authors: Fan Zhenhai , Cao Chunmei , Yang Xingchuan , Yuan Wenchuang , Qin Feiyang , Hu Yating , Sun Xiaobo , Liu Guoji , Tian Yun , Xu Li
Published: August 2024

Electrocatalytic nitrate (NO3−) reduction to ammonia (NRA) offers a promising pathway for ammonia synthesis. The interfacial electronic interactions (IEIs) can regulate the physicochemical capabilities of catalysts in electrochemical applications, while the impact of IEIs on electrocatalytic NRA remains largely unexplored in current literature. In this study, the high‐efficiency electrode Ag‐modified Co3O4 (Ag1.5Co/CC) is prepared for NRA in neutral media, exhibiting an impressive nitrate conversion rate of 96.86 %, ammonia Faradaic efficiency of 96.11 %, and ammonia selectivity of ~100 %. Notably, the intrinsic activity of Ag1.5Co/CC is ~81 times that of Ag nanoparticles (Ag/CC). Multiple characterizations and theoretical computations confirm the presence of IEIs between Ag and Co3O4, which stabilize the CoO6 octahedrons within Co3O4 and significantly promote the adsorption of reactants (NO3−) as well as intermediates (NO2− and NO), while suppressing the Heyrovsky step, thereby improving nitrate electroreduction efficiency. Furthermore, our findings reveal a synergistic effect between different active sites that enables tandem catalysis for NRA: NO3− reduction to NO2− predominantly occurs at Ag sites while NO2− tends to hydrogenate to ammonia at Co sites. This study offers valuable insights for the development of high‐performance NRA electrocatalysts.
[19]Starphene: Combined In‐Solution and On‐Surface Synthesis Towards the Largest Starphene
Authors: Besteiro‐Sáez Javier , Mateo Luis M. , Salaverría Sergio , Wang Tao , Angulo‐Portugal Paula , Calupitan Jan Patrick , Rodríguez‐Fernández Jonathan , García‐Fuente Amador , Ferrer Jaime , Pérez Dolores , Corso Martina , de Oteyza Dimas G. , Peña Diego
Published: August 2024

Starphenes are structurally appealing three‐fold symmetric polycyclic aromatic compounds with potential interesting applications in molecular electronics and nanotechnology. This family of star‐shaped polyarenes can be regarded as three acenes that are connected through a single benzene ring. In fact, just like acenes, unsubstituted large starphenes are poorly soluble and highly reactive molecules under ambient conditions making their synthesis difficult to achieve. Herein, we report two different synthetic strategies to obtain a starphene formed by 19 cata‐fused benzene rings distributed within three hexacene branches. This molecule, which is the largest starphene that has been obtained to date, was prepared by combining solution‐phase and on‐surface synthesis. [19]Starphene was characterized by high‐resolution scanning tunneling microscopy (STM) and spectroscopy (STS) showing a remarkable small HOMO‐LUMO transport gap (0.9 eV).
Catalytic Enantioselective Friedel–Crafts Allenylation
Authors: Das Priyotosh , Ghosh Debangshu , Mukherjee Santanu
Published: August 2024

The first enantioselective Friedel‐Crafts (FC) allenylation reaction for the creation of central chirality is developed under cooperative Ir(I)/(phosphoramidite,olefin) and Lewis acid catalysis. This enantioconvergent reaction utilizes racemic allenylic alcohol as the electrophile and shows compatibility with a variety of electron‐rich arenes and heteroarenes. The resulting highly enantioenriched (up to >99.5 : 0.5 e.r.) 1,1‐disubstituted allenylic methanes, bearing a benzylic carbon stereocenter, are obtained with complete regiocontrol – both on (hetero)arenes as well as on the allenylic fragment. This protocol allows for the enantioselective formal introduction of a 4‐carbon alkyl chain into (hetero)arenes, along with the creation of a benzylic stereocenter. Judicious synthetic elaborations not only lead to formal enantioselective FC alkylation products of less electron‐rich arenes but also of substituted arenes in ortho‐ and even meta‐selective fashion. An intramolecular version of this FC allenylation is shown to proceed with promising enantioselectivity under the same catalytic conditions. Mechanistic studies revealed the involvement of dynamic kinetic asymmetric transformation (DyKAT) of racemic allenylic alcohols in this reaction.
Development of Macrocyclic Neurotensin Receptor Type 2 (NTS2) Opioid‐Free Analgesics
Authors: Desgagné Michael , Chartier Magali , Lagard Camille , Ferková Sára , Choquette Mathieu , Longpré Jean‐Michel , Côté Jérôme , Boudreault Pierre‐Luc , Sarret Philippe
Published: August 2024

The opioid crisis has highlighted the urgent need to develop non‐opioid alternatives for managing pain, with an effective, safe, and non‐addictive pharmacotherapeutic profile. Using an extensive structure–activity relationship approach, here we have identified a new series of highly selective neurotensin receptor type 2 (NTS2) macrocyclic compounds that exert potent, opioid‐independent analgesia in various experimental pain models. To our knowledge, the constrained macrocycle in which the Ile12 residue of NT(7–12) was substituted by cyclopentylalanine, Pro7 and Pro10 were replaced by allyl‐glycine followed by side‐chain to side‐chain cyclization is the most selective analog targeting NTS2 identified to date (Ki 2.9 nM), showing 30,000‐fold selectivity over NTS1. Of particular importance, this macrocyclic analog is also able to potentiate the analgesic effects of morphine in a dose‐ and time‐dependent manner. Exerting complementary analgesic actions via distinct mechanisms of nociceptive transmission, NTS2‐selective macrocycles can therefore be exploited as opioid‐free analgesics or as opioid‐sparing therapeutics, offering superior pain relief with reduced adverse effects to pain patients.
Organocatalyzed Carbonylation of Alkyl Halides Driven by Visible Light
Authors: Liu Xin , Portela Brandon S. , Wiedenbeck Analiese , Chrisman Cameron H. , Paton Robert S. , Miyake Garret M.
Published: August 2024

Herein, we describe a new strategy for the carbonylation of alkyl halides with different nucleophiles to generate valuable carbonyl derivatives under visible light irradiation. This method is mild, robust, highly selective, and proceeds under metal‐free conditions to prepare a range of structurally diverse esters and amides in good to excellent yields. In addition, we highlight the application of this activation strategy for 13C isotopic incorporation. We propose that the reaction proceeds by a photoinduced reduction to afford carbon‐centered radicals from alkyl halides, which undergo subsequent single electron‐oxidation to form a carbocationic intermediate. Carbon monoxide is trapped by the carbocation to generate an acylium cation, which can be attacked by a series of nucleophiles to give a range of carbonyl products.
Stereoselective Hydroxyallylation of Cyclopropenes with Cyclopropanols via NHC Catalysis of Transient Organozinc Species
Authors: Tsukiji Kento , Matsumoto Arimasa , Kanemoto Kazuya , Yoshikai Naohiko
Published: August 2024

A stereoselective hydroxyallylation reaction of cyclopropenes with cyclopropanols is achieved under zinc‐mediated conditions, affording densely functionalized cyclopropanes with excellent diastereocontrol over three contiguous stereocenters within and outside the cyclopropane ring. A racemic variant of the reaction is synergistically promoted by catalytic N‐heterocyclic carbene (NHC) and organic base, whereas chiral amino alcohol‐derived bifunctional NHC enables a catalytic enantioselective variant. The reaction likely involves the generation of enolized zinc homoenolate via ring‐opening of zinc cyclopropoxide and enolization of the resulting homoenolate, followed by its addition to the cyclopropene as a prochiral allylzinc nucleophile. Our mechanistic investigations highlighted the transient nature of enolized homoenolate, which, once generated from thermodynamically predominant cyclopropoxide, immediately proceeds to allylzincation with cyclopropene. The NHC not only promotes the rate‐determining generation of enolized homoenolate but also engages in the allylzincation process. The resulting cyclopropylzinc species undergoes partial in situ protonation while partially remaining intact, thereby leaving an opportunity for trapping with an external electrophile.
A Metal–Sulfur–Carbon Catalyst Mimicking the Two‐Component Architecture of Nitrogenase
Authors: Xia Junkai , Xu Jiawei , Yu Bing , Liang Xiao , Qiu Zhen , Li Hao , Feng Huajun , Li Yongfu , Cai Yanjiang , Wei Haiyan , Li Haitao , Xiang Hai , Zhuang Zechao , Wang Dingsheng
Published: August 2024

The production of ammonia (NH3) from nitrogen sources involves competitive adsorption of different intermediates and multiple electron and proton transfers, presenting grand challenges in catalyst design. In nature nitrogenases reduce dinitrogen to NH3 using two component proteins, in which electrons and protons are delivered from Fe protein to the active site in MoFe protein for transfer to the bound N2. We draw inspiration from this structural enzymology, and design a two‐component metal–sulfur–carbon (M−S−C) catalyst composed of sulfur‐doped carbon‐supported ruthenium (Ru) single atoms (SAs) and nanoparticles (NPs) for the electrochemical reduction of nitrate (NO3−) to NH3. The catalyst demonstrates a remarkable NH3 yield rate of ~37 mg L−1 h−1 and a Faradaic efficiency of ~97 % for over 200 hours, outperforming those consisting solely of SAs or NPs, and even surpassing most reported electrocatalysts. Our experimental and theoretical investigations reveal the critical role of Ru SAs with the coordination of S in promoting the formation of the HONO intermediate and the subsequent reduction reaction over the NP‐surface nearby. Such process results in a more energetically accessible pathway for NO3− reduction on Ru NPs co‐existing with SAs. This study proves a better understanding of how M−S−Cs act as a synthetic nitrogenase mimic during ammonia synthesis, and contributes to the future mechanism‐based catalyst design.
Thiopentone‐based total intravenous anaesthesia for a patient with carnitine palmitoyltransferase II deficiency and malignant hyperthermia susceptibility
Authors: Essackjee Z. , Sloan G.
Published: August 2024

In this case report, we discuss the use of a thiopentone infusion for the maintenance of anaesthesia in a patient with confirmed malignant hyperthermia susceptibility and carnitine palmitoyltransferase 2 deficiency. The concurrence of both diagnoses precluded the use of both propofol‐based total intravenous anaesthesia and volatile inhalational anaesthesia. This patient had been anaesthetised previously with a triple infusion regimen of thiopentone, midazolam and remifentanil and this was a unique opportunity to compare the two instances. Electroencephalogram‐based depth of anaesthesia monitoring was in routine use by the time of the second anaesthetic, and thus, the thiopentone infusion could be adjusted accordingly, resulting in a more rapid emergence time. We hope that this case may serve as an example of suitable anaesthetic alternative should both propofol infusion and inhalational anaesthesia not be an option.
Research methods and the use of visual representation in library and information science research
Authors: Matusiak Krystyna K. , Osinska Veslava , Organisciak Peter , Thomas Pitts Robyn
Published: August 2024

The increasing variety of research strategies and data collection techniques in information science, the access to large secondary data sets, and the ubiquity of information visualization call for expanding the classification of research methods and exploring how research is communicated visually. This study examined the relationship between types of data used in empirical research, visualizations, and research methods applied in information science studies. It analyzed 751 research articles published in the Journal of the Association for Information Science and Technology (JASIST) using content analysis and machine learning techniques. The study finds that most empirical studies adopted a quantitative design with data mining, bibliometrics, experiments, and surveys as dominant strategies. The substantial use of secondary data points to the shift in how data are collected in empirical research. The JASIST articles used a variety of visualizations to present research designs and findings, with quantitative and mixed methods studies employing primarily tables and charts and qualitative studies relying more on tables and diagrams. This study uniquely explores the relationship between research methods and visualization. It contributes to the classification of the methods in information science by expanding the range of strategies within the quantitative, qualitative, and mixed methods designs.
Chemotherapy for post‐menopausal women with early breast cancer seems not to result in clinically significant changes in thyroid function
Authors: Marina Djordje , Buch‐Larsen Kristian , Gillberg Linn , Andersen Mads Albrecht , Andersson Michael , Rasmussen Åse Krogh , Schwarz Peter
Published: August 2024

Objective

Adjuvant chemotherapy is often indicated in patients diagnosed with early breast cancer (EBC). Among others, weight gain is one of the observed side effects of both chemotherapy and other cancer treatments; however, the mechanism is not well‐described. In this study, we aimed to assess thyroid function before and shortly after the course of chemotherapy for EBC.

Methods

This is a prospective cohort study of women diagnosed with EBC. The main outcome was the thyroid function and body weight before and after completing chemotherapy. Secondary outcomes were the presence of thyroid autoantibodies and treatment radiation dosage. We included 72 patients treated with adjuvant chemotherapy, whereas 59 patients also received supraclavicular locoregional radiotherapy. Triple‐negative breast cancer (BC) patients receiving chemoimmunotherapy were excluded.

Results

After the chemotherapy, we observed an increase in thyroid‐stimulating hormone (p = 0.03) and a decrease in free‐thyroxine (p = 0.0006), with no significant weight change. The prevalence of autoimmune thyroiditis was low. On average 3 months post‐chemo, we found no statistically significant difference in the thyroid function of women treated versus not treated with supraclavicular locoregional radiotherapy.

Conclusions

Although statistically significant changes in thyroid hormones were observed, this study suggests no obvious clinically significant changes in thyroid function in women with early BC after the course of chemotherapy. The decrease in thyroid function was not related to autoimmunity, non‐thyroidal illness, radiotherapy, or high‐dose corticosteroids. Further studies with a longer follow‐up of thyroid function after adjuvant chemotherapy and supraclavicular locoregional radiotherapy are needed.
Gut Roseburia is a protective marker for peritoneal metastasis of gastric cancer
Authors: Yu Dandan , Fan Qilin , Yang Jinru , Jin Min , Shi Linli , Zhou Bin , Zhao Lei , Zhang Jieying , Lin Zhenyu , Zhang Tao , Liu Hongli
Published: August 2024

Background

Gastric cancer (GC), particularly for advanced stage of GC, commonly undergoes peritoneal metastasis (PM), which is the leading cause of GC‐related death. However, there currently has no reliable biomarker to predict the onset of GCPM. It is well known that the imbalance of gut microbiota contributes to the development and metastasis of gastrointestinal tumors. Unfortunately, little is known about how the alternation in gut microbiota is associated with the onset of GCPM.

Methods

Our current study analyzed structural characteristics and functional prediction of gut microbiota in GC patients with PM (PM group) and without PM (non‐PM group). Fresh fecal samples were collected from a discovery cohort (PM = 38, non‐PM = 54) and a validation cohort (PM = 15, non‐PM = 21) of GC patients and their 16S ribosomal RNA (16s rRNA) gene amplicons were sequenced, followed by bioinformatics.

Results

The results indicated an increase in the biodiversity of gut microbiota in the non‐PM group of the discovery cohort, compared with the PM group. Moreover, LEfSe analysis found 31 significantly different microorganisms, of which the Roseburia ranked the fifth in the random forest (RF) model. The characteristics of intestinal microbiota in GCPM patients were changed, and the abundance of Roseburia in gut microbiota from the GCPM patients was reduced and receiver operating characteristic (ROC) analysis revealed that the reduced abundance of gut Roseburia effectively predicted the onset of GCPM.

Conclusion

This signature was also observed in the validation cohort. Therefore, Roseburia is a protective microbial marker and the reduced abundance of Roseburia in gut microbiota may help early diagnosis of GCPM.
In Silico Approach for Assessment of the Anti‐Tumor Potential of Cannabinoid Compounds by Targeting Glucose‐6‐Phosphate Dehydrogenase Enzyme
Authors: Zemnou Tepap Cromwel , Anissi Jaouad , Bounou Salim , Berton Zanchi Fernando
Published: August 2024

Glucose‐6‐phosphate dehydrogenase (G6PD) is a pentose phosphate pathway (PPP) enzyme that generates NADPH, which is required for cellular redox equilibrium and reductive biosynthesis. It has been demonstrated that abnormal G6PD activation promotes cancer cell proliferation and metastasis. To date, no G6PD inhibitor has passed clinical testing successfully enough to be launched as a medicine. As a result, in this investigation, cannabinoids were chosen to evaluate their anticancer potential by targeting G6PD. Molecular docking indicated that three molecules, Tetrahydrocannabinolic acid (THCA), Cannabichromenic acid (CBCA), and tetrahydrocannabivarin (THCV), have the highest binding affinities for G6PD of −8.61, −8.39, and 8.01 Kcal mol. ADMET analysis found that all of them were safe prospective drug candidates. Molecular dynamics (MD) simulation and MM‐PBSA analysis confirm the structural compactness and lower conformational variation of protein‐ligand complexes, thereby maintaining structural stability and rigidity. Thus, our in silico investigation exhibited all three cannabinoids as potential competitive inhibitors of G6PD.
Irritability in children: Promising advances in measurement and treatment
Authors: Walters Anne S.
Published: August 2024

Extreme irritability is a challenging quality for children and adolescents and those that live with them; one that often brings them into treatment due to the impact on others. Further, it also leads to a cycle of interpersonal rejection from others based on the unpleasantness of interaction with such an individual. For these reasons, both anger and irritability have received increasing attention from researchers and clinicians in recent years, yet conceptualization is still murky, as is measurement. Is it temperament? Is it a sign of pathology? Specific to mood disorders or a cross‐sectional symptom? Stable and enduring, or not?
Cardiac papillary fibroelastomas: Unveiling a rare right atrial presentation with surgical insights—A case report and review of the literature
Authors: Davani Delaram Narimani , Alizadehasl Azin , Aliabadi Azam Yalameh , Bazrgar Aida , Pouraliakbar Hamidreza , Jebelli Seyedeh Fatemeh Hosseini , Najdaghi Soroush , Zonooz Yasamin Afsari
Published: August 2024

Key Clinical Message

Cardiac papillary fibroelastomas (CPF) are rare, benign tumors with thromboembolic potential. We present a 40‐year‐old male with a right atrial CPF, referred with acute chest pain. Advanced imaging and surgical excision with tricuspid valve repair were crucial, emphasizing the need for early detection and intervention in symptomatic and asymptomatic cases.
Neoadjuvant immunotherapy leads to complete pathologic response in locally advanced colon cancer
Authors: Sandow Lyndsey , Tsikitis Liana , Lopez Charles D. , Brinkerhoff Brian , Kardosh Adel , Pegna Guillaume , Chen Emerson Y.
Published: August 2024

Key Clinical Message

Immunotherapy is considered first line in patients with dMMR metastatic colorectal cancer (CRC). Recent studies have also shown promising results with neoadjuvant immunotherapy in locally advanced CRC. We report a case in which neoadjuvant immunotherapy with pembrolizumab resulted in complete pathologic response at time of resection as well as saved the patient the morbidity associated with a hepatectomy. We also completed a scoping review of the literature which suggests promising tumor responses with treatment in dMMR CRC. Further randomized control trials to determine the magnitude of response and optimal regimen are needed.
Seronegative celiac disease with transient protein‐losing enteropathy and vitamin B12 deficiency in a pediatric patient: Case report
Authors: Shaikh Aisha , Ashraf Saad , Ansari Muhammad Ahsan , Zain‐Ul‐Haq Muhammad , Hashim Hashim Talib , Hashim Ali Talib , Alhatemi Ahmed Qasim Mohammed
Published: August 2024

Key Clinical Message

Early recognition and management of seronegative celiac disease, even in the absence of typical serological markers, can prevent complications and ensure better health outcomes in pediatric patients. Consideration of a gluten‐free diet in similar cases can lead to significant clinical improvement.

Celiac disease, characterized by its diverse clinical manifestations, often necessitates adherence to a gluten‐free diet, particularly in pediatric patients for optimal growth and development. This report presents the case of an 11‐year‐old male who exhibited recurrent symptoms of fever and diarrhea progressing to edema and pallor, with a history dating back to age 3. Laboratory findings revealed pancytopenia, hypoalbuminemia, and proteinuria. Despite negative serological markers, noninvasive tests, along with clinical improvement on a gluten‐free diet and supportive measures within a month, suggested celiac disease complicated by transient protein‐losing enteropathy and vitamin B12 deficiency. It is important to note that other malabsorption disorders can also show clinical improvement following a gluten‐free diet. Additionally, the antibiotic treatment received by the patient could have addressed other possible causes of malabsorption, complicating the differential diagnosis. This case highlights the importance of early recognition and management of celiac disease, especially in pediatric patients, to prevent complications and promote optimal health outcomes.
Effects of Ring Functionalization in Anthracene‐Based Cyclophanes on the Binding Properties Toward Nucleotides and DNA
Authors: Basaran Ismet , Agafontsev Aleksandr M. , Morozov Boris S. , Oshchepkov Alexander S. , Imhof Petra , Kataev Evgeny A.
Published: August 2024

Supramolecular recognition of nucleobases and short sequences is an emerging research field focusing on possible applications to treat many diseases. Controlling the affinity and selectivity of synthetic receptors to target desired nucleotides or short sequences is a highly challenging task. Herein, we elucidate the effect of substituents in the phenyl ring of the anthracene‐benzene azacyclophane on the recognition of nucleoside triphosphates (NTPs) and double‐stranded DNA. We show that introducing phenyl rings increases the affinity for NTPs 10‐fold and implements groove and intercalation binding modes with double‐stranded DNA. NMR studies and molecular modeling calculations support the ability of cyclophanes to encapsulate nucleobases as part of nucleotides.
Tutorial Review on the Set‐Up and Running of Quantum Mechanical Cluster Models for Enzymatic Reaction Mechanisms
Authors: de Visser Sam P. , Wong Henrik P. H. , Zhang Yi , Yadav Rolly , Sastri Chivukula V.
Published: August 2024

Enzymes turnover substrates into products with amazing efficiency and selectivity and as such have great potential for use in biotechnology and pharmaceutical applications. However, details of their catalytic cycles and the origins surrounding the regio‐ and chemoselectivity of enzymatic reaction processes remain unknown, which makes the engineering of enzymes and their use in biotechnology challenging. Computational modelling can assist experimental work in the field and establish the factors that influence the reaction rates and the product distributions. A popular approach in modelling is the use of quantum mechanical cluster models of enzymes that take the first‐ and second coordination sphere of the enzyme active site into consideration. These QM cluster models are widely applied but often the results obtained are dependent on model choice and model selection. Herein, we show that QM cluster models can give highly accurate results that reproduce experimental product distributions and free energies of activation within several kcal mol−1, regarded that large cluster models with >300 atoms are used that include key hydrogen bonding interactions and charged residues. In this tutorial review, we give general guidelines on the set‐up and applications of the QM cluster method and discuss its accuracy and reproducibility. Finally, several representative QM cluster model examples on metal‐containing enzymes are presented, which highlight the strength of the approach.
Tetradentate Pt(II) Complexes Based on Xylenylamino Linked Dual Pyrazolate Chelates for Organic Light Emitting Diodes
Authors: Zhou Fan , Pan Yi , Hung Wen‐Yi , Chen Ching‐Feng , Chen Kui‐Ming , Li Jian‐Liang , Yiu Shek‐Man , Liu Yi‐Mei , Chou Pi‐Tai , Chi Yun , Lau Kai‐Chung
Published: August 2024

In this work, we report the syntheses of three Pt(II) emitters, namely, Pt4N1, Pt4N2, and Pt4N3, to which their tetradentate chelates were assembled by linking two pyrazolate chelates with a single xylenylamino entity. Functionalization of Pt4N1 was achieved upon the addition of electronegative CF3 substituent on pyridinyl groups and switching to more electron‐deficient pyrazinyl groups in giving Pt4N2 and Pt4N3, respectively. The vertically arranged xylenylamino entity has effectively suppressed the inter‐molecular π‐π stacking and Pt⋅⋅⋅Pt interaction, as shown by the single crystal X‐ray structural analyses. Upon fabrication of OLED devices, Pt4N2 and Pt4N3 based devices delivered efficient cyan and green emission, with an EQEmax of 15.2 % and 11.2 %, respectively, affirming the successfulness of the tetradentate chelating strategy.
An insightful project in chemistry and art lessons
Authors: Korn‐Müller Andreas , Steinhofer Harald
Published: August 2024

Schon seit jeher passen Chemie und Kunst zusammen, da chemische Substanzen als Farbmittel und Pigmente eine fundamentale Rolle in der Malerei spielen [1]. Im Gegensatz zu den herkömmlichen Malfarben, die im Kunstunterricht zum Einsatz kommen, besitzt Phosphoreszenzfarbe einen spektakulären Nachleuchteffekt. In einem fächerübergreifenden Projekt des Chemie‐ und Kunstunterrichts konnten die Schülerinnen und Schüler einer 7. Jahrgangsstufe phosphoreszierende Malfarbe auf Basis von Zinksulfid selbst ausprobieren. Zusätzlich gelingen mit einer bemalten Holzplatte spektakuläre Leuchteffekte für den Chemieunterricht.
Size‐Dependent Magnetic Responsiveness of a Photonic Crystal of Graphene Oxide Nanosheets
Authors: Ogawa Daisuke , Nishina Yuta , Sano Koki
Published: August 2024

A magnetically responsive photonic crystal of colloidal nanosheets can exhibit a controllable structural color, offering diverse potential applications. In this study, we systematically investigated how the lateral sizes of graphene oxide (GO) nanosheets affect their magnetic responsiveness in a photonic system. Contrary to the prediction that larger lateral sizes of nanosheets would be more responsive to an applied magnetic field based on the magnetic energy of anisotropic materials, we discovered that GO nanosheets with larger lateral sizes in the photonic system scarcely responded to a 12 T magnetic field. The lack of magnetic response may be due to the strongly restricted rotational motion of GO nanosheets by mutual electrostatic forces. In contrast, GO nanosheets with medium lateral sizes readily responded to the 12 T magnetic field, forming a uniaxially oriented structure that resulted in a vivid structural color. However, smaller GO nanosheets displayed a less vivid structural color, possibly because of less structural ordering of GO nanosheets. Finally, we found that the photonic crystal of GO nanosheets with optimized lateral sizes responded effectively to the 12 T magnetic field across various GO concentrations, resulting in a vivid and tunable structural color.
High Broadband Optical Absorption and Bandstop Filter Characteristics of Pb/Nb2O5 Interfaces
Authors: Algarni Sabah. E. , Qasrawi Atef F. , Khusayfan Najla. M.
Published: August 2024

In this study, semitransparent lead films serve as substrates for depositing niobium pentoxide thin films, forming versatile electro‐optical devices. Using vacuum evaporation and ion sputtering techniques at ≈10−5 mbar, stacked layers of crystalline Pb and amorphous Nb2O5 are created. This process reduces free carrier absorption in Nb2O5 and forms Urbach tail states with a width of 0.91 eV. Pb/Nb2O5 thin films exhibit remarkable broadband absorption, exceeding 440% in the visible and 98% in the infrared. Moreover, Pb substrates induce a redshift in Nb2O5’s energy bandgap. Electrical analysis using impedance spectroscopy on Pb/Nb2O5/Ag structures reveals their series/parallel resonance and bandstop filter properties. Notably, the bandstop filters exhibit reflection coefficient minima at a notch frequency of 1.66 GHz, with a bandwidth of 280 MHz, return loss of 26 dB, and voltage standing wave ratio of 1.13. These findings underscore the device's potential for wide‐ranging electro‐optical applications across the electromagnetic spectrum.
Single‐stage single‐phase multiport DC–AC inverter suitable for standalone applications due to its notable performance in different operation modes
Authors: Ahmadian Sina , Abbasi Vahid , Hemmati Siroos
Published: August 2024

A new multiport DC–AC converter is proposed for standalone and off‐grid tied applications. The configuration converts power from DC to AC form in a single stage with suitable voltage gain. To increase the certainty of supporting power, the converter is designed to operate in four modes, including battery‐alone mode. The other advantage of the presented work is supplying the output power during unbalanced voltage conditions of the input ports. The advanced features of the converter for being used in standalone applications are related to the suitable placement and structure of the bidirectional port. In addition, the configuration is designed in a way to contain appropriate structural properties such as the existence of a common ground between the DC section and inverter, continuity of input currents, configured by an acceptable number of components, and low‐voltage stress on the DC–DC section's switches. Furthermore, it has an impedance network to protect the inverter's switches in a shoot‐through state. To confirm the converter advantages from the mentioned points of view, it has been compared with similar configurations. A prototype rated at 110 V is prepared to demonstrate the advantages of the converter performance per different conditions. The results of the steady‐state and transient experiments validate the suitability of the presented converter.
Low‐latency and power‐efficient row‐based binary‐weighted compensator for fixed‐width Booth multiplier
Authors: Li Chung‐Yi , Hu Hong‐Chi , Chen Yuan‐Ho , Lin Shinn‐Yn
Published: August 2024

Fixed‐width Booth multiplier (FWBM) plays a significant role in the arouse of approximate computing (AC) field. In this paper, a row‐based binary‐weighted compensator (RBC) for fixed‐width Booth multiplication is proposed. The derived binary‐weighted close‐form minimizes the conversion loss and hardware cost. With the proposed close‐form, the partial product array can be reduced dramatically. Consequently, the compact FWBM with the proposed RBC not only shortens the critical path to at least 24% but also minimizes the power dissipation to at least 44%. Moreover, the proposed RBC outperforms the state‐of‐art with a maximum merit improvement of 39%. By implementing the proposed RBC‐FWBM in the FIR filter, we manage to demonstrate the practicality of the proposed design with a significant reduction in power‐dissipation and delay while maintaining high accuracy.
Comparative analysis of control strategies impact on power losses in IGBT power modules with a multiphysics‐circuit coupling method
Authors: Dou Zhifeng , Zhang Changai , Tian Ye , Lu Falong , Wang Qian
Published: August 2024

Power losses in semiconductor devices present a significant impediment to advancing power electronics systems for achieving higher frequencies, improved efficiency, and greater integration. A major challenge lies in directly coupling power losses with various control strategies, considering the variations in manufacturers, packaging, and process structures within the power electronics field. This paper introduces a field‐circuit coupling simulation methodology of the insulated gate bipolar transistor (IGBT) within the Simulink/COMSOL environment, using a conventional three‐phase six‐switch voltage source inverter (VSI) IGBT module as a case study. A composite transfer function interconnects the electrical and thermal aspects, enabling bidirectional coupling between IGBT temperature and losses. This study aims to comprehensively compare the effects of various control strategies, namely, single‐vector, dual‐vector, and three‐vector current model predictive control (CMPC) and space vector pulse width modulation (SVPWM), on the losses and temperature of IGBT power modules. The findings emphasize that losses are significantly influenced by the selection of weighting factor coefficients and power factor settings under the same CMPC control strategy with a fixed switching frequency. Additionally, the selection of control strategies, such as CMPC and SVPWM, substantially impacts power losses in power electronic devices.
A novel compact and shadow resistance‐to‐frequency and resistance‐to‐time converter
Authors: Al‐Absi Muneer A. , Alkhulaifi Abdulaziz
Published: August 2024

This paper presents a novel compact and shadow resistance‐to‐frequency converter and resistance‐to‐time converter. The design incorporates three current feedback operational amplifiers (CFOA) and can be implemented in CMOS technology. The design's functionality has been proven through simulation and experimental verification. The simulation and experimental findings show that the proposed design works well with small deviation between simulation and experimental results.
Research progress on fusion genes in tumours
Authors: Chang Yinyi , Zhao Zitong , Song Yongmei
Published: August 2024

Background

The concept of gene fusion describes the process of fusing two genes into one, which is closely linked to tumour occurrence and development and may even be the direct cause of some tumours. Due to their tumour‐specific expression and ability to drive tumour occurrence and development, there is great potential for fusion genes to be used as diagnostic markers and targets for specific types of tumours.

Main body

Although many fusion genes have been detected so far, they mainly focus on a small number of highly recurrent fusion genes detected in patients' tumours. There are few studies on the functional mechanism and clinical relevance of rare gene fusions. Our review discusses the generation mechanisms, detection methods, biological functions, and mechanisms of action of fusion genes. Additionally, we discuss the clinical significance of fusion gene detection in some tumour types.

Conclusion

The function mechanism research of rare gene fusion is very necessary, and more functions of fusion genes independent of unfused/normal genes can be explored in future studies. There is still a long way to go in implementing precision tumour therapy targeting gene fusion.
Clinical and translational mode of single‐cell measurements: An artificial intelligent single cell
Authors: Wang Xiangdong , Powell Charles A. , Ma Qin , Fan Jia
Published: August 2024

With rapid development and mature of single‐cell measurements, single‐cell biology and pathology become an emerging discipline to understand the disease. However, it is important to address concerns raised by clinicians as to how to apply single‐cell measurements for clinical practice, translate the signals of single‐cell systems biology into determination of clinical phenotype, and predict patient response to therapies. The present Perspective proposes a new system coined as the clinical artificial intelligent single‐cell (caiSC) with the dynamic generator of clinical single‐cell informatics, artificial intelligent analysers, molecular multimodal reference boxes, clinical inputs and outs, and AI‐based computerization. This system provides reliable and rapid information for impacting clinical diagnoses, monitoring, and prediction of the disease at the single‐cell level. The caiSC represents an important step and milestone to translate the single‐cell measurement into clinical application, assit clinicians’ decision‐making, and improve the quality of medical services. There is increasing evidence to support the possibility of the caiSC proposal, since the corresponding biotechnologies associated with caiSCs are rapidly developed. Therefore, we call the special attention and efforts from various scientists and clinicians on the caiSCs and believe that the appearance of the caiSCs can shed light on the future of clinical molecular medicine.
Global warming and coastal protected areas: A study on phytoplankton abundance and sea surface temperature in different regions of the Brazilian South Atlantic Coastal Ocean
Authors: da Silveira Bueno Carolina , Paytan Adina , de Souza Cassiano Dias , Franco Telma Teixeira
Published: August 2024

In this study, we examined the relationship between sea surface temperature (SST) and phytoplankton abundance in coastal regions of the Brazilian South Atlantic: São Paulo, Paraná, and Santa Catarina, and the Protection Area of Southern right whales (Eubalaena australis) in Santa Catarina (APA), a conservation zone established along 130 km of coastline. Using SST and chlorophyll‐a (Chl‐a) data from 2002 to 2023, we found significant differences in SST between the regions, with São Paulo having the highest SST, followed by Paraná and Santa Catarina. All locations showed a consistent increase in SST over the years, with North Santa Catarina, APA and São Paulo experiencing the lowest rate of increase. Correlation analyses between SST and Chl‐a revealed a stronger inverse relationship in North Santa Catarina and APA, indicating an increased response of Chl‐a to SST variations in this region. The presence of protected area appears to play an essential role in reducing the negative impacts of increasing SST. Specifically, while there is a wealth of research on the consequences of global warming on diverse coastal and oceanic areas, heterogeneity among different settings persists and the causes for this necessitating attention. Our findings have implications for both localized scientific approaches and broader climate policies, emphasizing the importance of considering coastal ecosystem resilience to climate change in future conservation and adaptation strategies.
Chloride‐Ion Blocking in Seawater Electrolysis: Narrating the Tale of Likes and Dislikes Between Anode and Ions
Authors: Gaur Ashish , Enkhbayar Enkhtuvshin , Sharma Jatin , Mhin Sungwook , Han HyukSu
Published: August 2024

Seawater is the most abundant source of molecular hydrogen. Utilizing the hydrogen reserves present in the seawater may inaugurate innovative strategies aimed at advancing sustainable energy and environmental preservation endeavors in the future. Recently, there has been a surge in study in the field addressing the production of hydrogen through the electrochemical seawater splitting. However, the performance and durability of the electrode have limitations due to the fact that there are a few challenges that need to be addressed in order to make the technology suitable for the industrial purpose. The active site blockage caused by chloride ions that are prevalent in seawater and chloride corrosion is the most significant issue; it has a negative impact on both the activity and the durability of the anode component. Addressing this particular issue is of upmost importance in the seawater splitting area. This review concentrates on the newly developed materials and techniques for inhibiting chloride ions by blocking the active sites, simultaneously preventing the chloride corrosion. It is anticipated that the concept will be advantageous for a large audience and will inspire researchers to study on this particular area of concern.
Spin‐Crossover and Liquid Crystal Property in Fe(II) Complexes: Impact of Alkyl Chain Lengths
Authors: Yadav Jyoti , Joshi Sindhuja , De Ritobrata , Pal Santanu Kumar , Konar Sanjit
Published: August 2024

Materials that combine spin‐crossover (SCO) and liquid crystal (LC) behavior have gained significant attention due to their potential applications in technological devices, attributed to their easy processability. Herein, we report three neutral heteroleptic Fe(II) complexes: [Fe(dpa‐C4)2(NCS)2] (1), [Fe(dpa‐C6)2(NCS)2] (2), and [Fe(dpa‐C16)2(NCS)2] (3) (dpa‐Cn=N‐alkyl‐N‐(pyridin‐2‐yl)pyridin‐2‐amine; n=4, 6 and 16), which exhibit thermal‐induced spin transition behavior. The transition profiles and temperatures are effectively modulated by the length of the alkyl chains. Longer alkyl chains result in gradual and higher T1/2 values, while the shorter chains lead to abrupt SCO with lower T1/2 (i. e. T1/2=259 K (3) >237 K (2) >211 K (1)). Crystallographic studies reveal the impact of hydrophobic and hydrophilic packing in the crystal lattice, contributing to cooperativity and thereby affecting the SCO behavior. Complex 3 with long alkyl chain substitution, displayed non‐synchronized SCO‐LC behavior due to the thermal motion of the alkyl chains.