bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of radio frequency fields in the 2.45 GHz band produced by smart home devices
Authors: McKenzie Raymond J. , Iskra Steve , Knipe Phillip
Published: November 2023

This paper describes the assessment of the electromagnetic fields produced by consumer “smart” devices used to control and monitor everyday equipment and appliances in a modern “smart” home. The assessment is based on the careful measurement of fields produced by a range of such devices in a laboratory environment configured to operate in a condition simulating high user activity. All devices included in this study operate in the 2.4 GHz band utilizing either Wi‐Fi or Bluetooth connectivity. Overall results indicate very low levels of electromagnetic fields for all IoT smart devices in terms of human exposure safety standards (typically much less than 1%) with very low duty cycles (also less than 1%) resulting in even lower time‐averaged exposure levels. These low levels of exposure, along with rapid reduction of levels with distance from the devices, suggests that the cumulative effect of multiple devices in a “smart” home are not significant.
Pure red upconverted and near‐infrared luminescence properties of Er3+‐doped SnO2 nanocrystals for lighting applications
Authors: Kalaivani Vinayakam , Kagola Upendra Kumar , Rajeswari Parnandi Venkata , Kaleemulla Shaik , Praveena Ravipati , Vijaya Navoori
Published: November 2023

Tin oxide (SnO2) nanocrystalline powders doped with erbium ion (Er3+) in different molar ratios (0, 3, 5, and 7 mol%) were prepared using a solid‐state reaction technique. These samples were characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet‐visible absorption, visible upconversion, and near‐infrared luminescence techniques. XRD analysis revealed the tetragonal rutile structure of SnO2 and the average crystallite size was about 32 nm. From Tauc's plots, it was confirmed that the substitution of Er3+ ions into the SnO2 host lattice resulted in the narrowing its band gap. Optical absorption bands at 520 and 654 nm correspond to the 4f electron transitions of Er3+ further confirming visible light absorption. Infrared luminescence spectra showed a broad band centred at 1536 nm which is assigned to the 4I13/2 → 4I15/2 transition of Er3+. Visible upconverted emission spectra under 980 nm excitation exhibit a strong red luminescence with a main peak at 672 nm which is attributed to the 4F9/2 → 4I15/2 transition of Er3+. Power‐dependent upconversion spectra confirmed that two photons participated in the upconversion mechanism. Enhancement in the intensities of both visible and infrared luminescence was observed when raising the concentration. The results pave the way for the potential applications of these nanocrystalline powders in energy harvesting applications such as infrared light upconverting layer in solar cells, light emitting diodes, infrared broadband sources and amplifiers, and biological labelling.
Robust method for chromatogram shape analysis to improve early detection of performance drifts and adverse changes in process parameters during purification column operations
Authors: Torres Alexis J.
Published: November 2023

The biopharmaceutical industry is under increased pressure to maximize efficiency, enhance quality compliance, and reduce the cost of drug substance manufacturing. Ways to reduce costs associated with manufacturing of complex biological molecules include maximizing efficiency of chromatography purification steps. For example, process analytical technology (PAT) tools can be employed to improve column resin life, prevent column operating failures, and decrease the time it takes to solve investigations of process deviations. We developed a robust method to probe the shape of the chromatogram for indications of column failure or detrimental changes in the process. The approach herein utilizes raw data obtained from manufacturing followed by a pre‐processing routine to align chromatograms and patch together the different chromatogram phases in preparation for multivariate analysis. A principal component analysis (PCA) was performed on the standardized chromatograms to compare different batches, and resulted in the identification specific process change that affected the profile. In addition, changes in the chromatogram peaks were used to create predictive models for impurity clearance. This approach has the potential for early detection of column processing issues, improving timely resolution in large‐scale chromatographic operations.
Enzymatic hydrolysis allows an integral valorization of Nannochloropsis oceanica resulting in the production of bioactive peptide extracts and an eicosapentaenoic acid enriched fraction
Authors: Cunha Sara A. , Coscueta Ezequiel R. , Alexandre Agostinho M. R. C. , Partidário Ana Maria Carvalho , Fernández Naiara , Paiva Alexandre , Silva Joana Laranjeira , Pintado Manuela E.
Published: November 2023

Nannochloropsis oceanica is a microalga with relevant protein content, making it a potential source of bioactive peptides. Furthermore, it is also rich in fatty acids, with a special focus on eicosapentaenoic acid (EPA), an omega‐3 fatty acid mainly obtained from marine animal sources, with high importance for human health.

N. oceanica has a rigid cell wall constraining protein extraction, thus hydrolyzing it may help increase its components’ extractability. Therefore, a Box–Behnken experimental design was carried out to optimize the hydrolysis.

The hydrolysate A showed 67% ± 0.7% of protein, antioxidant activity of 1166 ± 63.7 μmol TE g−1 of protein and an ACE inhibition with an IC50 of 379 μg protein mL−1. The hydrolysate B showed 60% ± 1.8% of protein, antioxidant activity of 775 ± 13.0 μmol TE g−1 of protein and an ACE inhibition with an IC50 of 239 μg protein mL−1. The by‐product showed higher yields of total fatty acids when compared to “raw” microalgae, being 5.22% and 1%, respectively.

The sustainable developed methodology led to the production of one fraction rich in bioactive peptides and another with interesting EPA content, both with value‐added properties with potential to be commercialized as ingredients for different industrial applications, such as functional food, supplements, or cosmetic formulations.
The anterior perforated substance (APS) revisited: Commented anatomical and imagenological views
Authors: Fontana Horacio José , Mazzucco Juan , Lescano Sebastián
Published: November 2023

Introduction

Since 2002, when we published our article about the anterior perforated substance (APS), the knowledge about the region has grown enormously.

Objective

To make a better description of the anatomy of the zone with new dissection material added to the previous, to sustain the anatomical analysis of the MRI employing the SPACE sequence, interacting with our imagenology colleagues. Especially, we aim to identify and topographically localize by MRI the principal structures in APS–substantia innominata (SI).

Method

The presentation follows various steps: (1) location and boundaries of the zone and its neighboring areas; (2) schematic description of the region with simple outlines; (3) cursory revision of the SI and its three systems; (4) serial images of the dissections of the zone and its vessels, illustrated and completed when possible, by MRI images of a voluntary experimental subject (ES).

Results

With this method, we could expose most of the structures of the region anatomically and imagenologically.

Discussion

The zone can be approached for dissection with magnification and the habitual microsurgical instruments with satisfactory results. We think that fibers in this region should be followed by other anatomical methods in addition to tractography. The principal structures of ventral striopallidum and extended amygdala (EA) can be identified with the SPACE sequence. The amygdala and the basal ganglion of Meynert (BGM) are easily confused because of their similar signal. Anatomical clues can orient the clinician about the different clusters of the BGM in MRI.

Conclusions

The dissection requires a previous knowledge of the zone and a good amount of patience. The APS is a little space where concentrate essential vessels for the telencephalon, “en passage” or perforating, and neural structures of relevant functional import. From anatomical and MRI points of view, both neural and vascular structures follow a harmonious and topographically describable plan. The SPACE MRI sequence has proved to be a useful tool for identifying different structures in this area as the striatopallidal and EA. Anatomical knowledge of the fibers helps in the search of clusters of the basal ganglion.
The role of agri‐food 4.0 in climate‐smart farming for controlling climate change‐related risks: A business perspective analysis
Authors: Kazancoglu Yigit , Lafci Cisem , Kumar Anil , Luthra Sunil , Garza‐Reyes Jose Arturo , Berberoglu Yalcin
Published: November 2023

The impact of climate change, including fires, droughts and storms, on natural resources and agricultural output is increasing. In addition to these problems, resource depletion and greenhouse gas (GHG) emissions, agriculture also contributes to global warming. To reduce the dangers of climate change, farmers are using sustainable practices. This article aims to link agri‐food 4.0 technology with climate‐smart agriculture (CSA) to lessen the two‐way interaction (both affecting and impacted) between the agricultural sector and global warming, as well as dangers related to the agri‐food business. In light of this information, the research methodology of the paper is twofold. Initially, related risks towards climate change and the CSA and agri‐food 4.0 technologies to overcome these risks were determined through a literature review. Then, risks and technologies are evaluated by adopting the TODIM (an acronym in Portuguese for Interactive and Multicriteria Decision Making), which is used for evaluating the criteria set with the related technologies to overcome climate change‐related risks and provide a guiding map for academics and practitioners to eliminate risks associated with these climate change‐related factors. According to the study's findings, the highest‐priority concerns in the agri‐food industries that are connected to climate change include energy consumption, food safety and GHG emissions. Internet of Things (IoT), bio‐innovation and artificial intelligence are thought to be the most promising technological solutions to address these problems.
A review of all‐solid‐state lithium‐selenium batteries
Authors: Guo Baiyu , Zhang Liqiang , Tang Yongfu , Huang Jianyu
Published: November 2023

Rechargeable lithium‐selenium batteries (LSeBs) are promising candidates for next‐generation energy storage systems due to their exceptional theoretical volumetric energy density (3253 mAh cm−3). However, akin to lithium‐sulfur batteries, the adoption of LSeBs has been hampered by problems such as polyselenides migration in liquid electrolytes, uncontrolled dendrite growth and safety concerns. To overcome these issues, researchers proposed to use the solid‐state electrolytes (SSEs) as a method, which could mitigate the formation of polyselenides. However, practical utilization of the all‐solid‐state Li‐Se batteries (ASSLSeBs) face significant obstacles, including sluggish redox kinetics during Se conversion (Se ↔ Li2Se), inadequate interfacial contact and formation of Li dendrites. Scientists have applied strategies to tackle these challenges. This article offers a timely review of emerging strategies. The article begins by conducting a detailed analysis of the working principles of ASSLSeBs and identifying the critical challenges that hinder practical application. Subsequently, the article presents a comprehensive summary of various strategies aimed at boosting the development of ASSLSeBs, which encompass advancements in Se cathode materials, optimization of SSEs, design of stable Li anodes, and approaches in addressing the interfacial challenge. Finally, the article offers further perspectives about promoting the application of ASSLSeBs. It highlights the need for continued research and development to overcome existing limitations. Overall, by understanding these emerging strategies, researchers could enhance the technology of LSeBs, bringing us closer to the practical realization of high‐energy storage systems.
Targeting colorectal cancer using dietary flavonols
Authors: Dubey Nitin , Dubey Nidhi , Bhadoria Upendra , Shah Kamal , Chauhan Nagendra Singh
Published: November 2023

Colorectal cancer is among the well‐known forms of cancer and a prominent cause of cancer demises worldwide. In vitro experiments reinforced by animal studies, as well as epidemiological studies of human colorectal cancer propose that the growth of this disease can be moderated by eating aspects. Dietary intake including green vegetables and fruits may result in the reduction of colon cancer chances. The finding suggests that the combinations of dietary nutrients may deliver additive or synergistic effects and might be a powerful method to avoid or eradicate colon cancer beginning and/or development. Flavonols are one of the most widespread dietary nutrients of the polyphenols‐flavonoids and major constituent of Allium and Brassicaceae vegetables. Flavonols present in vegetables of Allium and Brassicaceae family are kaempferol, myricetin, quercetin, and isorhamnetin. These flavonols are claimed to have antiproliferative activity in vivo and in vitro against colorectal cancer. The objective of this review is to summarize the role of flavonols obtained from dietary sources in the prevention and treatment of colorectal cancer.
Outcomes of COVID‐19 in patients with lymphomas participating in registered clinical trials: A real‐world study from China in the Omicron outbreak era
Authors: Sun Peng , Yang Hang , Zhao Baitian , Wang Yu , Nie Man , Huang Kangming , Li Zhiming
Published: November 2023

Background

This real‐world study investigated the outcome of COVID‐19 in lymphoma patients participating in registered clinical trials and explored potential risk factors with the outcome of COVID‐19 during the first wave of the Omicron outbreak in China.

Methods

One hundred and ten patients participating in registered clinical trials and diagnosed with COVID‐19 in our center between December 1, 2022, and January 31, 2023, were included.

Results

Four (3.6%) patients were identified as severe COVID‐19 and 2 (1.8%) as critical COVID‐19, respectively. The mortality rate observed was 2.73% for the entire cohort, 33.3% for the severe/critical COVID‐19 group, and 18.8% for the hospitalized group. The 90‐day OS was 98.2% for the entire cohort, 66.7% for the severe/critical COVID‐19 group, and 87.5% for the hospitalized group. Advanced age (≥70 years), comorbidities, and PI3K inhibitor‐containing regimen were significantly associated with the severity of COVID‐19. Patients with indolent B‐cell non‐Hodgkin lymphomas were less likely to be hospitalized for COVID‐19.

Conclusion

This study reported similar clinical features of COVID‐19 in our cohort with that of non‐hematological malignancy (HM) patients, while the proportion of severe/critical COVID‐19 and the mortality rate were relatively higher than non‐HM patients. Our findings provided valuable experience to aid clinical researchers with managing lymphoma patients participating in registered clinical trials during the ongoing pandemic of the Omicron variant.
Impact of curcumin on ferroptosis‐related genes in colorectal cancer: Insights from in‐silico and in‐vitro studies
Authors: Firouzjaei Ali Ahmadizad , Aghaee‐Bakhtiari Seyed Hamid , Tafti Ali , Sharifi Kazem , Abadi Mohammad Hassan Jafari Najaf , Rezaei Samaneh , Mohammadi‐Yeganeh Samira
Published: November 2023

Colorectal cancer (CRC) is responsible for a significant number of cancer‐related fatalities worldwide. Researchers are investigating the therapeutic potential of ferroptosis, a type of iron‐dependent controlled cell death, in the context of CRC. Curcumin, a natural compound found in turmeric, exhibits anticancer properties. This study explores the effects of curcumin on genes related to ferroptosis (FRGs) in CRC. To gather CRC data, we used the Gene Expression Profiling Interactive Analysis (GEPIA) and Gene Expression Omnibus (GEO) databases, while FRGs were obtained from the FerrDb database and PubMed. We identified 739 CRC differentially expressed genes (DEGs) in CRC and discovered 39 genes that were common genes between FRGs and CRC DEGs. The DEGs related to ferroptosis were enriched with various biological processes and molecular functions, including the regulation of signal transduction and glucose metabolism. Using the Drug Gene Interaction Database (DGIdb), we predicted drugs targeting CRC‐DEGs and identified 17 potential drug targets. Additionally, we identified eight essential proteins related to ferroptosis in CRC, including MYC, IL1B, and SLC1A5. Survival analysis revealed that alterations in gene expression of CDC25A, DDR2, FABP4, IL1B, SNCA, and TFAM were associated with prognosis in CRC patients. In SW480 human CRC cells, treatment with curcumin decreased the expression of MYC, IL1B, and EZH2 mRNA, while simultaneously increasing the expression of SLCA5 and CAV1. The findings of this study suggest that curcumin could regulate FRGs in CRC and have the potential to be utilized as a therapeutic agent for treating CRC.
An increase in intercellular crosstalk and electrotonic coupling between cardiomyocytes and nonmyocytes reshapes the electrical conduction in the metabolic heart characterized by short QT intervals in ECGs
Authors: Billur Deniz , Olgar Yusuf , Durak Aysegul , Yozgat Ayse Hande , Unay Simge , Tuncay Erkan , Turan Belma
Published: November 2023

Cardiac conduction abnormalities are disorders in metabolic syndrome (MetS), however, their mechanisms are unknown. Although ventricular arrhythmia reflects the changes in QT‐interval of electrocardiograms associated with the changes in cardiomyocyte action potential durations (APDs), recent studies emphasize role of intercellular crosstalk between cardiomyocytes and nonmyocytes via passive (electrotonic)‐conduction. Therefore, considering the possible increase in intercellular interactions of nonmyocytes with cardiomyocytes, we hypothesized an early‐cardiac‐remodeling characterized by short QT‐interval via contributions and modulations of changes by nonmyocytes to the ventricular APs in an early‐stage MetS hearts. Following the feeding of 8‐week‐old rats with a high‐sucrose diet (32%; MetS rats) and validation of insulin resistance, there was a significant increase in heart rate and changes in the electrical characteristics of the hearts, especially a shortening in action potential (AP) duration of the papillary muscles. The patch‐clamp analysis of ventricular cardiomyocytes showed an increase in the Na+‐channel currents while there were decreases in 
l‐type Ca2+‐channel (LTCC) currents with unchanged K+‐channel currents. There was an increase in the phosphorylated form of connexin 43 (pCx43), mostly with lateral localization on sarcolemma, while its unphosphorylated form (Cx43) exhibited a high degree of localization within intercalated discs. A high‐level positively‐stained α‐SMA and CD68 cells were prominently localized and distributed in interfibrillar spaces of the heart, implying the possible contributions of myofibroblasts and macrophages to both shortened APDs and abnormal electrical conduction in MetS hearts. Our data propose a previously unrecognized pathway for SQT induction in the heart. This pathway includes not only the contribution of short ventricular‐APDs via ionic mechanisms but also increasing contributions of the electrotonic‐cardiomyocyte depolarization, spontaneous electrical activity‐associated fast heterogeneous impulse conduction in the heart via increased interactions and relocations between cardiomyocytes and nonmyocytes, which may be an explanation for the development of an SQT in early‐cardiac‐remodeling.
Incidentally discovered parathyroid lipoadenoma in thyroid surgery: A case report and review of the literature
Authors: Wang Yihan , Chen Yan , Fu Yantao
Published: November 2023

Key Clinical Message

Parathyroid lipoadenoma is a rare type of parathyroid adenoma, described as a single parathyroid adenoma with more than 50% fat on histologic examination and an unknown etiology, which is one of the rare causes of primary hyperparathyroidism. The difficulty of parathyroid lipoadenoma is mainly diagnosed by preoperative imaging localization. We hope to arouse attention to the parathyroid adenoma which is difficult to locate through our case report. The patient was a middle‐aged male with a body mass index of 38.4 kg/m2 who admitted to our hospital with a 40‐day history of an untreated thyroid nodule. We incidentally discovered parathyroid lipoadenoma in his thyroid surgery. His prognosis was good, and there were no signs of recurrence at his 12‐month follow‐up appointment. We believe that parathyroid lipoadenoma needs to rely on paraffin pathology to make a final diagnosis. This case report serves as a reminder that parathyroid lipoadenomas are also possible in patients who do not have primary hyperparathyroidism preoperatively and who have negative imaging. Clinicians must carefully examine the adipose tissue for the presence of parathyroid lipoadenomas during thyroid surgery to avoid postoperative hypoparathyroidism and persistent hypocalcaemia.
Postoperative wound infection by nontuberculous mycobacteria; case series in Dhaka Medical College Hospital of Bangladesh
Authors: Halder Kakali , Tanni Nusrat Noor , Kabir Rubaiya Binte , Nesa Maherun , Rahman Md. Faizur , Zaman Rizwana , Habib Farjana Binte , Tania Noor‐E‐Jannat , Asaduzzaman Md. , Haque Azmeri , Chowdhury Akteruzzaman , Sarker Avizit , Akter Nadira , Chowdhury Mahbuba , Shahid Sazzad Bin , Shamsuzzaman S. M.
Published: November 2023

Key Clinical Message

The incidence of nontuberculous mycobacterial (NTM) infections after operations is increasing in Bangladesh but data regarding clinical presentation, diagnosis, treatment, and prognosis after treatment are lacking. In this case series, three patients having persistent serous discharge from incision wound after operation were studied. Discharge from wounds were collected, wet film microscopy was performed for pus cells and fungus, Gram stain, Ziehl‐Neelsen (ZN) stain, culture in routine culture media and Lowenstein‐Jensen (LJ) media, Xene‐Xpert for mycobacterium tuberculosis (MTB), polymerase chain reaction (PCR) for NTM were done. NTM‐positive patients were treated initially for 6 weeks with four drugs regimen (clarithromycin 500 mg 12 hourly, ciprofloxacin 500 mg 12 hourly, linezolid 400 mg 12 hourly, and amikacin 500 mg 12 hourly), followed by 5 months with three drugs regimen (clarithromycin 500 mg 12 hourly, ciprofloxacin 500 mg 12 hourly, and linezolid 400 mg 12 hourly) as a maintenance dose. Cessation of discharge occurred within 3–4 weeks after starting treatment, and the wounds were healed.
Recent Progress and Challenges in Perylene Small Molecules, Assemblies and Composites for Photocatalytic Hydrogen Evolution
Authors: Kumari Anita , Sengupta Sanchita
Published: November 2023

Perylene diimide (PDI) derivatives are among the best‐known n‐type organic semiconductors because of their unique photophysical and chemical characteristics. In recent years, significant progress has been made in the development of various PDI/composites and their self‐assembled structures for photocatalytic hydrogen (H2) evolution. However, the slow transport of photogenerated charge carriers, rapid charge recombination, limited catalytic activity, and instability of these materials still pose difficulties for their practical use. In order to address these problems, extensive studies have been conducted on structural modifications, molecular design, and synthesis techniques to control the morphology of self‐assembled PDI structures and create new and effective photocatalysts. In this context, perylene based small molecules, their composites with TiO2 and g‐C3N4, self‐assembled perylene derivatives have been designed and their roles as heterogenous photocatalysts for H2 evolution have been investigated thoroughly in literature. In this review, the developments of PDI‐based photocatalysts for H2 evolution are outlined under four different categories. Self‐assembled PDI nanostructures have made the most advancements among all the categories, with highest hydrogen evolution rate (HER) of 61.49 mmol g−1 h−1 while composites composed of perylene derivatives and g‐C3N4 exhibited the second highest rate of hydrogen evolution (17.7 mmol g−1 h−1). This review is intended to give researchers a better understanding and guidelines for designing PDI‐based and other chromophore‐based materials for efficient H2 evolution and their further exploration for future improvement in H2 evolution efficiencies.
Strategies to Develop Electrocatalytically Active Perovskite Oxide Nanosheets
Authors: Majee Rahul , Bhattacharyya Sayan
Published: November 2023

In the research field of alternative energy, perovskite oxides remain one of the prominent classes of electrocatalysts because of their outstanding compositional and chemical versatility, tuneable catalytically active centers, and structural robustness leading to operational stability. However, their routine high‐temperature synthesis curbs the available active sites, and consequently, there is an ongoing urge to mend the perovskite oxides towards dimensionally reduced forms which can endow maximum surface‐active sites to accelerate the redox processes. Despite the burgeoning interests, research in this field barely began in the last decade. This review highlights some of the relevant literature findings, and rationalizes the limitations, and benefits of developing two‐dimensional (2D) nanostructures of electrocatalytically active perovskite oxides. Furthermore, the roadblocks of the current approaches for wide‐stretched adaptability and standing gaps to counter such bottlenecks are discussed.
Oligodentate Aminotriazole Ligands for CuAAC and Copper‐Mediated Monooxygenation of Phenols: Influence of Denticity, Chain Length and N‐Alkylation on Catalytic Activity
Authors: Koch Alexander , Engesser Tobias A. , Näther C. , Tuczek Felix
Published: November 2023

Copper complexes supported by a series of ligands containing different N‐donor groups were prepared, and the influence of the ligand design on the catalytic activity towards (i) the conversion of monophenols to o‐quinones and (ii) the CuAAC reaction was investigated. Increasing the number of methyltriazole moieties attached to an amine from one (TTA) over two (BTTA) to three (TTTA) decreases the catalytic mono‐phenolase activity of derived Cu complexes. By contrast, replacing the methylene group between the apical and the outer N‐donors of TTA with an ethylene bridge in TTEA increases the activity whereas alkylation of the amino group (dmTTEA, prlTTEA) has no positive effect on the catalytic activity. When employing the complexes in the CuAAC reaction, opposite trends in catalytic activity are observed. The results are interpreted in the context of the respective mechanistic pathways.
Regioselectivity in Carbonylation of Pentenoic Acid to Synthesize Cyclic Anhydrides
Authors: Ramakrishnan Ashok , Bouwman Elisabeth
Published: November 2023

Pentenoic acids (PEA) obtained from biomass‐derived γ‐valerolactone (GVL) can serve as a platform for sustainable and atom‐economic synthesis of adipic acid and its derivatives. Herein, the results are reported on the cyclocarbonylation reaction of PEA to synthesize five‐ (5 a), six‐ (6 a), or seven‐membered (7 a) cyclic anhydrides, with the aim to drive the reaction towards 7 a, a potential intermediate to caprolactam. Carbonylation of 4‐PEA yielded up to 73 % cyclic anhydrides, 7 a and 6 a in ratio 79 : 21. However, from 3‐PEA the same palladium‐based catalytic system in the absence of strong acids yielded 61 % 6 a and 5 a (41 : 59), indicating the inability of the catalyst to force isomerization. Isomerization, which is essential to obtain 7 a from a mixture of PEA isomers derived from GVL, does occur in presence of strong acids; however, this led predominantly to formation of smaller rings (6 a and 5 a) from 4‐PEA. Catalytic systems containing ligands with bulky tert‐butyl substituents yielded 6 a and trace amounts of 7 a. Although 7 a can be obtained from 4‐PEA in reasonable selectivity, there still remains a challenge to selectively synthesize 7 a from a mixture of PEA isomers.
A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric Catalysis
Authors: Sidorov Pavel , Tsuji Nobuya
Published: November 2023

Machine learning has permeated all fields of research, including chemistry, and is now an integral part of the design of novel compounds with desired properties. In the field of asymmetric catalysis, the preference still lies with models based on a physical understanding of the catalysis phenomenon and the electronic and steric properties of catalysts. However, such models require quantum chemical calculations and are thus limited by their computational cost. Here, we highlight the recent advances in modeling catalyst selectivity by using the 2D structures of catalysts and substrates. While these have a less explicit mechanistic connection to the modeled property, 2D descriptors, such as topological indices, molecular fingerprints, and fragments, offer the tremendous advantages of low cost and high speed of calculations. This makes them optimal for the in‐silico screening of large amounts of data. We provide an overview of common quantitative structure‐property relationship workflow, model building and validation techniques, applications of these methodologies in asymmetric catalysis design, and an outlook on improving the understanding of 2D‐based models.
Synthesis of Trifluoromethylated Monoterpenes by an Engineered Cytochrome P450
Authors: Yuan Feiyan , Ding Jing , Sun Yiyang , Liang Jianhua , Luo Yunzi , Yu Yang
Published: November 2023

Protein engineering of cytochrome P450s has enabled these biocatalysts to promote a variety of abiotic reactions beyond nature‘s repertoire. Integrating such non‐natural transformations with microbial biosynthetic pathways could allow sustainable enzymatic production of modified natural product derivatives. In particular, trifluoromethylation is a highly desirable modification in pharmaceutical research due to the positive effects of the trifluoromethyl group on drug potency, bioavailability, and metabolic stability. This study demonstrates the biosynthesis of non‐natural trifluoromethyl‐substituted cyclopropane derivatives of natural monoterpene scaffolds using an engineered cytochrome P450 variant, P411‐PFA. P411‐PFA successfully catalyzed the transfer of a trifluoromethyl carbene from 2‐diazo‐1,1,1‐trifluoroethane to the terminal alkenes of several monoterpenes, including L‐carveol, carvone, perilla alcohol, and perillartine, to generate the corresponding trifluoromethylated cyclopropane products. Furthermore, integration of this abiotic cyclopropanation reaction with a reconstructed metabolic pathway for L‐carveol production in Escherichia coli enabled one‐step biosynthesis of a trifluoromethylated L‐carveol derivative from limonene precursor. Overall, amalgamating synthetic enzymatic chemistry with established metabolic pathways represents a promising approach to sustainably produce bioactive natural product analogs.
Trifluoroethylation and Pentafluoropropylation of C(sp3)−H Bonds
Authors: Le Thanh V. , Ramachandru Girish G. , Daugulis Olafs
Published: November 2023

Polyfluorinated substituents often enhance effectiveness, improve the stability within metabolic processes, and boost the lipophilicity of biologically active compounds. However, methods for their introduction into aliphatic carbon chains remain very limited. A potentially general route to integrate the fluorinated scaffolds into organic molecules involves insertion of fluorine‐containing carbenes into C(sp3)−H bonds. The electron‐withdrawing characteristics of perfluoroalkyl groups enhances the reactivity of these carbenes which should enable the functionalization of unactivated C(sp3)−H bonds. Curiously, it appears that use of perfluoroalkyl‐containing carbenes in alkane C−H functionalization is exceedingly rare. This concept describes photolysis, enzymatic catalysis, and transition metal catalysis as three primary approaches to C(sp3)−H functionalization by trifluoromethylcarbene and its homologues.
Pharmacogenetics of Biochemically Verified Abstinence in an Opioid Agonist Therapy Randomized Clinical Trial of Methadone and Buprenorphine/Naloxone
Authors: Kazi Intishar , Chenoweth Meghan J. , Jutras‐Aswad Didier , Ahamad Keith , Socias M. Eugenia , Le Foll Bernard , Tyndale Rachel F.
Published: November 2023

Methadone and buprenorphine/naloxone are opioid agonist therapies for opioid use disorder treatment. Genetic factors contribute to individual differences in opioid response; however, little is known regarding genetic associations with clinical outcomes in people receiving opioid agonist therapies. Participants diagnosed with opioid use disorder, principally consisting of prescription opioids (licit or illicit), were randomized to methadone or buprenorphine/naloxone for 24 weeks of daily treatment (NCT03033732). Urine was collected at 12 biweekly study visits and analyzed for non‐treatment opioids. Variants in genes involved in methadone metabolism (CYP2B6, CYP2C19, and CYP3A4), buprenorphine metabolism (CYP3A4 and UGT2B7), and μ‐opioid receptor function (OPRM1) were genotyped and analyzed for their association with the number of non‐treatment opioid‐free urine screens. Primary analyses focused on the last 12 weeks (6 study visits, post‐titration) of treatment among those reporting White ethnicity. Additional sensitivity and exploratory analyses were performed. Among methadone‐treated participants (n = 52), the OPRM1 rs1799971 AA genotype (vs. G‐genotypes, i.e., having one or two G alleles) was associated with greater opioid‐free urine screens (incidence rate ratio = 5.24, 95% confidence interval (CI) = 2.43–11.26, P = 0.000023); longitudinal analyses showed a significant genotype‐by‐time interaction over the full 24 weeks (12 study visits, β = −0.28, 95% CI = −0.45 to −0.11, P = 0.0015). Exploratory analyses suggest an OPRM1 rs1799971 genotype effect on retention. No evidence of association was found between other genetic variants, including in metabolic variants, and non‐treatment opioid‐free urine screens in the methadone or buprenorphine/naloxone arms. Those with the OPRM1 rs1799971 G‐genotypes may have a poorer response to methadone maintenance treatment, an effect that persisted through 24 weeks of treatment.
Photocatalytic metal‐free oxidation of alcohols with molecular oxygen in supercritical CO2 medium
Authors: Merkulov Vladislav G. , Zharkov Mikhail N. , Turova Olga V. , Ivanov Roman E. , Kuchurov Ilya V. , Zlotin Sergei G.
Published: November 2023

Near‐UV‐light‐induced oxidative conversion of cyclic and linear alcohols into corresponding carbonyl compounds was achieved in the supercritical CO2 medium under the action of molecular oxygen in the presence of 2‐fluoroanthraquinone (1 mol %), a simple and available metal‐free photocatalyst. A thorough examination of the impact of various process parameters on the reaction outcome allowed to identify a narrow density area at ~0.3 g/cm3 in the vicinity of the medium critical point and optimal reaction conditions (~45 °C, ~8.4 MPa) where up to 99 % conversions and 65–93 % yields of the oxidation products could be attained. Furthermore, it has been shown that compressed atmospheric air, a far cheaper and safer oxidizer than pure oxygen, can be applied to the reaction. Based on the experimental data, a plausible mechanism of the photocatalytic process has been proposed comprising photocatalyst excitation with near‐UV light followed by the hydrogen atom transfer (HAT) as the key stages.
A Critical Review of The Process and Challenges of Silicon Crystal Growth for Photovoltaic Applications
Authors: Sekar Sugunraj , Thamotharan Keerthivasan , Manickam Srinivasan , Murugesan Bharathwaj , Kakimoto Koichi , Perumalsamy Ramasamy
Published: November 2023

Crystalline silicon (c‐Si) solar cells have been accepted as the only environmentally and economically acceptable alternative source to fossil fuels. The majority of commercially available solar cells of all Photovoltaic (PV) cells produced worldwide, are made of crystalline silicon. Due to their excellent price/performance ratio and their demonstrated ecological durability, crystalline silicon wafers are by far the most common absorber material used in the production of solar cells and modules today. These wafers are primarily made using either a directional solidification that produces large‐grained multi‐crystalline (mc‐Si) wafers with a greater defect density or a solar‐optimized Czochralski (Cz) growing method that produces crystalline silicon with low defect density (c‐Si). The grown crystalline wafer contains foreign atoms that enhance the wire saw damage, reduce the minority carrier lifetime as a result get the minimum conversion efficiency of the solar cells. The current review illustrates how the elements of the furnace system affect impurity production and distribution of the developed silicon ingot and how the growth process affects the chemical reaction. Additionally, it covers the outcomes of simulations and experiments conducted on the growing process of c‐Si and mc‐Si ingots and recommends the most appropriate processing parameters, geometrical system, and argon gas flow rate.
V4C3 MXene: a Type‐II Nodal Line Semimetal with Potential as High‐Performing Anode Material for Mg‐Ion Battery
Authors: Sufyan Ali , Abbas Ghulam , Sajjad Muhammad , Larsson J. Andreas
Published: November 2023

We have used density functional theory simulations to explore the topological characteristics of a new MXene‐like material, V4C3, and its oxide counterpart, assessing their potential as anode materials for Mg‐ion batteries. Our research reveals that V4C3 monolayer is a topological type‐II nodal line semimetal, protected by time reversal and spatial inversion symmetries. This type‐II nodal line is marked by unique drumhead‐like edge states that appear either inside or outside the loop circle, contingent upon the edge ending. Intriguingly, even with an increase in metallicity due to oxygen functionalization, the topological features of V4C3 remain intact. Consequently, the monolayer V4C3 has a topologically enhanced electrical conductivity that amplifies further upon oxygen functionalization. During the charging phase, a remarkable storage concentration led to a peak specific capacity of 894.73 mAh g−1 for V4C3, which only decreases to 789.33 mAh g−1 for V4C3O2. When compared to V2C, V4C3 displays a significantly lower specific capacity loss due to functionalization, demonstrating its superior electrochemical properties. Additionally, V4C3 and V4C3O2 exhibit moderate average open‐circuit voltages (0.54 V for V4C3 and 0.58 V for V4C3O2) and energy barriers for intercalation migration (ranging between 0.29–0.63 eV), which are desirable for anode materials. Thus, our simulation results support V4C3 potential as an efficient anode material for Mg‐ion batteries.
Design of proximity‐coupled antenna array for 5G communication
Authors: Ayathil Reghunathan Sreejith , Raghavan Asaletha , Kakkattil Krishnan Anilkumar
Published: November 2023

Microstrip patch antennas (MPA) are widely used in wireless communication systems due to their ease of manufacture, low cost, and low profile. This work proposes a proximity‐coupled rectangular microstrip patch antenna array (PRMPA) adaptable for 5G applications. However, the existing research works suffered from low gain, low efficiency, and narrow bandwidth. In addition, 5G communications suffer from path loss in high‐frequency bands. For managing this issue, the large gain antenna is essential. Hence, this research aims to design and fabricate high‐gain compact 2 × 2 slotted PRMPA for 5G applications. The antenna design is simulated on HFSS and operates at 28–37 GHz. Here, the antenna parameters like length, width, and feed line parameters are optimized using a metaheuristic optimization like the mayfly optimizer (MFO). Further, a circular‐shaped metamaterial split‐ring resonator (SRR) reduces the mutual coupling. Then, Rogers RT5880 is used as substrate material, and the design operates at 34.5 GHz. The gain and radiation efficiency achieved by the proposed antenna design are 15.4 dB and 94.4% for the simulated outcomes.
A case of intestinal T‐cell lymphoma, not otherwise specified, that showed characteristic findings by magnified endoscopy combined with narrow‐band imaging
Authors: Hirose Yuki , Saito Satoshi , Nishiguchi Takanori , Yamazaki Dai , Tateishi Tsubasa , Saito Yuuichi , Komeno Yukiko , Kodama Makoto , Iwamoto Shiho , Fukata Masayuki , Sako Minako
Published: November 2023

T‐cell lymphoma in the gastrointestinal tract (intestinal T‐cell lymphoma, [ITCL]) is rare. ITCL, not otherwise specified (ITCL, NOS) which is a type of ITCL is particularly rare. There are few case reports of ITCL, NOS but no previous reports describe its endoscopic features. In this report, the 69‐year‐old man was diagnosed with ITCL, NOS. Colonoscopy revealed the elevated legion and edematous mucosa with focal depressions in the lower rectum. On the depressed legions, magnifying endoscopy combined with narrow‐band imaging detected the disappearance of glandular structure and branching abnormal blood vessels like a tree. These findings were similar to the tree‐like appearance, which has been described as a unique feature of gastric mucosal‐associated lymphoid tissue lymphoma. The targeted biopsy of the tree‐like appearance showed abnormal histopathological findings which fit the definition of ITCL, NOS. He was treated with chemotherapy and achieved complete remission. As is the case of gastric mucosal‐associated lymphoid tissue lymphoma, the tree‐like appearance is possibly the unique sign of ITCL, NOS. We report the endoscopic features of ITCL, NOS and show characteristic findings by magnifying endoscopy combined with narrow‐band imaging.
Endoscopic submucosal dissection and JNET classification for colorectal neoplasia: A North American academic center experience
Authors: Ahmed Nabeel , Bechara Robert
Published: November 2023

Objectives

Endoscopic submucosal dissection (ESD) enables minimally invasive resection of superficial gastrointestinal neoplasms en bloc regardless of size. The Japan narrow band imaging expert team (JNET) classification utilizes optical magnification and narrow band imaging (NBI) to predict pathology. In North America, ESD is far from ubiquitous, and regional outcomes are not widely described. To date there are no North American studies describing the application and yield of the JNET classification as applied in the practice of ESD.

Methods

A retrospective, single‐center, cohort analysis was performed on a prospectively maintained database of ESD procedures. Between July 2016 and February 2023, all consecutive patients treated with ESD for colorectal lesions were identified and stratified by lesion location, JNET, NBI International Colorectal Endoscopic, lateral spreading tumors, and Paris classifications. Univariate analysis was used for clinicopathological data. p < 0.05 was considered statistically significant.

Results

A total of 112 patients were identified. One lesion, a lipoma, was excluded. Overall, 49.5% (55/111) of lesions were colonic and 50.5% (56/111) rectal. Most lesions were lateral spreading tumors (60.4%, 67/111). Overall, 96.4% (107/111) ESDs were successfully completed, 98.1% (105/107) en bloc, and 87.9% (94/107) R0. Adverse events occurred in 1.8% (2/111) of procedures. The median diameter was 4.0 cm and resected in a median time of 62.0 min. Overall, 70.1% (47/67) lesions were upstaged from pre‐ESD biopsy. JNET 2B showed 80.2% (95% CI 71.5–87.1) accuracy for high‐grade dysplasia or sm1. All JNET type 3 were ≥sm2 (p < 0.001).

Conclusions

ESD permits safe and effective resection of superficial colorectal neoplasms. JNET classification was more accurate than pre‐resection biopsy at predicting histology in this series.
Time‐specific convergence and divergence in individual differences in behavior: Theory, protocols and analyzes
Authors: Stamps Judy A. , Biro Peter A.
Published: November 2023

Over the years, theoreticians and empiricists working in a wide range of disciplines, including physiology, ethology, psychology, and behavioral ecology, have suggested a variety of reasons why individual differences in behavior might change over time, such that different individuals become more similar (convergence) or less similar (divergence) to one another. Virtually none of these investigators have suggested that convergence or divergence will continue forever, instead proposing that these patterns will be restricted to particular periods over the course of a longer study. However, to date, few empiricists have documented time‐specific convergence or divergence, in part because the experimental designs and statistical methods suitable for describing these patterns are not widely known. Here, we begin by reviewing an array of influential hypotheses that predict convergence or divergence in individual differences over timescales ranging from minutes to years, and that suggest how and why such patterns are likely to change over time (e.g., divergence followed by maintenance). Then, we describe experimental designs and statistical methods that can be used to determine if (and when) individual differences converged, diverged, or were maintained at the same level at specific periods during a longitudinal study. Finally, we describe why the concepts described herein help explain the discrepancy between what theoreticians and empiricists mean when they describe the “emergence” of individual differences or personality, how they might be used to study situations in which convergence and divergence patterns alternate over time, and how they might be used to study time‐specific changes in other attributes of behavior, including individual differences in intraindividual variability (predictability), or genotypic differences in behavior.
Functional trait plasticity diverges between sexes in African cichlids: A contribution toward ecological sexual dimorphism?
Authors: McWhinnie Kirsty , Negi Deepti , Tanner K. Elizabeth , Parsons Kevin J.
Published: November 2023

Phenotypic plasticity enables development to produce multiple phenotypes in response to environmental conditions. Plasticity driven variation has been suggested to play a key role in adaptive divergence, and plasticity itself can evolve. However, the interaction of plasticity with the multiple levels involved with adaptive divergence is less understood. For example, sexual dimorphism can contribute adaptive variation through ecological sexual dimorphism (ESD), but the contribution of plasticity to this phenomenon is unknown. Therefore, to determine the potential contribution of plasticity to ESD, we used the adaptive radiation of Malawi cichlids. Two mouthbrooding species (Labeotropheus fuelleborni and Tropheops “Red Cheek”) with differences in foraging tactics underwent foraging experiments using benthic and limnetic treatments while accounting for sex. Plasticity in craniofacial shape and three functionally important traits were measured. Plasticity was shown, but without any sex‐based differences in shape. However, for mechanical advantage traits of the mandible sex by diet interactions were found. This suggests that ESD, may be influenced by phenotypic plasticity that diverges between sexes. Given the involvement of the mandible in parental care in cichlids this may indicate that sexual divergence in plasticity may trade‐off against maternal care tactics.