bluuebunny/crossref_metadata_2025 huggingface dataset:
Review of the anticancer properties of 6‐shogaol: Mechanisms of action in cancer cells and future research opportunities
Authors: Figueroa‐González Gabriela , Quintas‐Granados Laura Itzel , Reyes‐Hernández Octavio Daniel , Caballero‐Florán Isaac H. , Peña‐Corona Sheila I. , Cortés Hernán , Leyva‐Gómez Gerardo , Habtemariam Solomon , Sharifi‐Rad Javad
Published: March 2024

Cancer is a major global health challenge that affects every nation and accounts for a large portion of the worldwide disease burden. Furthermore, cancer cases will rise significantly in the next few decades. The Food and Drug Administration has approved more than 600 drugs for treating diverse types of cancer. However, many conventional anticancer medications cause side effects, and drug resistance develops as the treatment proceeds with a concomitant impact on patients' quality of life. Thus, exploring natural products with antitumor properties and nontoxic action mechanisms is essential. Ginger (Zingiber officinale Roscoe) rhizome has a long history of use in traditional medicine, and it contains biologically active compounds, gingerols and shogaols. The main ginger shogaol is 6‐shogaol, whose concentration dramatically increases during the processing of ginger, primarily due to the heat‐induced conversion of 6‐gingerol. Some studies have demonstrated that 6‐shogaol possesses biological and pharmacological properties, such as antioxidant, anti‐inflammatory, and anticancer activities. The mechanism of action of 6‐shogaol as an anticancer drug includes induction of paraptosis, induction of apoptosis, increase in the production of reactive oxygen species, induction of autophagy, and the inhibition of AKT/mTOR signaling. Despite this knowledge, the mechanism of action of 6‐shogaol is not fully understood, and the scientific data on its therapeutic dose, safety, and toxicity are not entirely described. This review article examines the potential of 6‐shogaol as an anticancer drug, addressing the limitations of current medications; it covers 6‐shogaol's attributes, mechanism of action in cancer cells, and opportunities for future research.
OSCAA: A two‐dimensional Gaussian mixture model for copy number variation association analysis
Authors: Yu Xuanxuan , Luo Xizhi , Cai Guoshuai , Xiao Feifei
Published: March 2024

Copy number variants (CNVs) are prevalent in the human genome and are found to have a profound effect on genomic organization and human diseases. Discovering disease‐associated CNVs is critical for understanding the pathogenesis of diseases and aiding their diagnosis and treatment. However, traditional methods for assessing the association between CNVs and disease risks adopt a two‐stage strategy conducting quantitative CNV measurements first and then testing for association, which may lead to biased association estimation and low statistical power, serving as a major barrier in routine genome‐wide assessment of such variation. In this article, we developed One‐Stage CNV–disease Association Analysis (OSCAA), a flexible algorithm to discover disease‐associated CNVs for both quantitative and qualitative traits. OSCAA employs a two‐dimensional Gaussian mixture model that is built upon the PCs from copy number intensities, accounting for technical biases in CNV detection while simultaneously testing for their effect on outcome traits. In OSCAA, CNVs are identified and their associations with disease risk are evaluated simultaneously in a single step, taking into account the uncertainty of CNV identification in the statistical model. Our simulations demonstrated that OSCAA outperformed the existing one‐stage method and traditional two‐stage methods by yielding a more accurate estimate of the CNV–disease association, especially for short CNVs or CNVs with weak signals. In conclusion, OSCAA is a powerful and flexible approach for CNV association testing with high sensitivity and specificity, which can be easily applied to different traits and clinical risk predictions.
Visualizing the ‘iron curtain’ formation in the subterranean estuary using sand tank experiments
Authors: Grünenbaum Nele , Volk Johanna , Delwar Rezwana Binte , Bräunig Laura , Massmann Gudrun , Greskowiak Janek
Published: March 2024

Iron‐(hydro)oxide formation in subterranean estuaries is visualised in a sand tank experiment. The so‐called ‘iron curtain’ forms at the interfaces where anoxic, iron (II)‐rich groundwater mixes with circulating oxic seawater.
Defence spending and real growth in an asymmetric environment: Accessing evidence from a developing economy
Authors: Gbadebo Adedeji Daniel , Bekun Festus Victor , Akande Joseph Olorunfemi , Adekunle Ahmed Oluwatobi
Published: March 2024

The connection between the defence spending and real growth remains a forefront subject of theoretical and empirical research. Nigeria, like many other developing nations, continues to devote numerous fiscal resources to military spending in ensuring peaceful coexistence and to attain sustainable economic growth after her independence in 1960. Because the interdependence between them has policy implications, this paper studies whether there exists asymmetric causality between them. The dataset, from World Bank database, includes long‐range historical series for military expenditure/GDP ratio and growth rate of GDP, covering 1960–2021. In exploring the empirical relations, the paper shows evidence for the symmetric Granger causality, from Toda–Yamamoto (1995) and asymmetric causality, from Hatemi‐J (2012). The standard (symmetric) identifies unidirectional causality evidence, from defence spending to the GDP per capital growth, with no retained potential feedback from real growth to defence spending. The Hatemi‐J (asymmetric) causality maintains evidence that positive shocks in the defence spending may cause a positive shock in the GDP per capital, supposing that increase perturbations to defence spending would be productive and growth‐enhancing. This causal impact is not evident for positive growth shocks. The findings support the need for policymakers to consider sustained growth targets when redesigning the military budget.
Albumin suppresses oxidation of TiNb alloy in the simulated inflammatory environment
Authors: Sotniczuk Agata , Kalita Damian , Chromiński Witold , Matczuk Magdalena , Pisarek Marcin , Garbacz Halina
Published: March 2024

Literature data has shown that reactive oxygen species (ROS), generated by immune cells during post‐operative inflammation, could induce corrosion of standard Ti‐based biomaterials. For Ti6Al4V alloy, this process can be further accelerated by the presence of albumin. However, this phenomenon remains unexplored for Ti β‐phase materials, such as TiNb alloys. These alloys are attractive due to their relatively low elastic modulus value. This study aims to address the question of how albumin influences the corrosion resistance of TiNb alloy under simulated inflammation. Electrochemical and ion release tests have revealed that albumin significantly enhances corrosion resistance over both short (2 and 24 h) and long (2 weeks) exposure periods. Furthermore, post‐immersion XPS and cross‐section TEM analysis have demonstrated that prolonged exposure to an albumin‐rich inflammatory solution results in the complete coverage of the TiNb surface by a protein layer. Moreover, TEM studies revealed that H2O2‐induced oxidation and further formation of a defective oxide film were suppressed in the solution enriched with albumin. Overall results indicate that contrary to Ti6Al4V, the addition of albumin to the PBS + H2O2 solution is not necessary to simulate the harsh inflammatory conditions as could possibly be found in the vicinity of a TiNb implant.
High level of 1,3‐propanediol production from crude glycerol by Clostridium strain BOH3: critical roles of inoculum and substrate concentration
Authors: Rajagopalan Gobinath , Jain Akanksha , Poosarla Venkata Giridhar , Krishnan Chandraraj , Yang Kun Lin
Published: March 2024

BACKGROUND

1,3‐Propanediol (PDO) is a raw material/specialty chemical/additive in several industrial applications. A new wild‐type Clostridium strain BOH3 can utilize crude glycerol (CG) and produce PDO. This investigation reveals its potential for PDO production from CG.

RESULTS

Initially, inoculum of strain BOH3 was cultured from reinforced clostridial medium (RCM) with glucose (medium‐A), and modified‐RCM with glycerol (medium‐B). While fermenting 20 g L−1 glycerol, the cells cultivated from medium‐A produced 5.75 g L−1 PDO (as major product) with 3.10 g L−1 butanol (byproduct), whereas the cells cultivated from medium‐B produced 11.01 g L−1 PDO with 2.50 g L−1 butyric acid and 1.01 g L−1 acetic acid, with no butanol produced. To enhance PDO production from the batch‐process, various parameters including pure glycerol/CG concentration (80 g L−1), inoculum age (15 h) and size (12.50%v/v) of cells from medium‐B, initial medium‐pH (pH 6.4) and incubation temperature (39 °C) were studied; the optimal values obtained are given in their respective parenthesis. Under optimal conditions, PDO production was 42.58–47.15 g L−1 (0.65–0.79 mol‐PDO/mol‐glycerol) from CG‐based rich/mineral media. Furthermore, fed‐batch fermentation with 50–80 g L−1 initial CG‐concentration was tested to enhance the PDO production. Among these, 60 g L−1 initial CG‐concentration assisted strain BOH3 in utilizing a high level of CG (~174 g L−1); it supported a higher‐titer of PDO production (103.55–116.45 g L−1), with the highest yield (0.72–0.81 mol−PDO/mol−glycerol) ever reported.

CONCLUSION

Clostridium strain BOH3 shows the potential to support a high titer (>116 g L−1) with the highest yield (>0.80 mol mol−1) of PDO production from CG (a waste). It can be considered for industrial‐scale PDO production. © 2024 Society of Chemical Industry (SCI).
The association between hyperuricemia and atrial fibrillation recurrence after catheter ablation
Authors: Oseto Hirotsuna , Yamashita Seigo , Tokuda Michifumi , Sato Hidenori , Shiomi Satoko , Sakurai Ryutaro , Yokoyama Masaaki , Tokutake Kenichi , Katoh Mika , Miyanaga Satoru , Yoshimura Michihiro , Yamane Teiichi
Published: March 2024

Background

Hyperuricemia (HU) has been reported to be associated with a high incidence of atrial fibrillation (AF). However, the relationship between HUA and recurrent AF after catheter ablation (CA) is unclear.

Methods

Four hundred consecutive AF patients (paroxysmal/persistent AF [PAF/PsAF]: 200/200) who underwent the initial CA were retrospectively enrolled. HU was defined as serum uric acid (SUA) level >7.0 mg/dL. We measured SUA levels 1 day before (pre‐CA) and 1 month after CA (post‐CA). A second‐generation 28 mm cryoballoon was used for pulmonary vein isolation (PVI) for PAF, while PVI plus linear ablation (roof and mitral isthmus lines) by radiofrequency catheter was conducted for PsAF.

Results

During 57 ± 24 months of follow‐up, AF recurred in 16% and 42% in PAF and PsAF patients (p < .0001). Pre‐CA SUA level in PsAF was significantly higher than that in PAF (6.5 ± 1.3 vs. 5.8 ± 1.3 mg/dL, p < .001). SUA level was significantly decreased after CA in both PAF and PsAF (5.8 ± 1.3 vs. 5.6 ± 1.3 mg/dL; p < .01 and 6.5 ± 1.3 vs. 6.1 ± 1.2 mg/dL; p < .0001, respectively). The association between pre−/post‐CA HU and recurrent AF was not identified in PAF, while the incidence of post‐CA HU was significantly higher in patients with recurrent AF than those without in PsAF (36% vs. 15%, p < .001). In multivariable analysis, longer AF duration and the presence of post‐CA HU were identified as independent predictors of AF recurrence in PsAF (OR:1.01, 95%CI:1.003–1.011, p = .0001 and OR:2.77, 95%CI:1.333–5.755, p = .007, respectively).

Conclusions

SUA level was significantly higher in PsAF than PAF patients. The presence of post‐CA HU was strongly related to AF recurrence in PsAF patients.
An investigation of corporate social responsibility conformity: The roles of network prominence and supply chain partners
Authors: Falcone Ellie C. , Ridge Jason W.
Published: March 2024

Numerous studies on corporate social responsibility (CSR) indicate that firms adopt CSR practices for various reasons related to their supply chain. However, the necessity to conform to a firm's own industry CSR norm is overlooked. Conforming to one's industry CSR norm—a herding behavior known as CSR conformity—ensures firm in‐group legitimacy and preserves internal resources for core business activities. On the other hand, deviating from industry norms sets a firm apart from its peers, making the firm more appealing to supply chain partners. Motivated by this dilemma, this study draws on middle‐status conformity theory and explores how a firm's network prominence determines its CSR conformity. Panel data analyses of 1650 firm‐year observations reveal an inverse U‐shaped relationship between firm network prominence and its CSR conformity, indicating that firms with a mid‐level network prominence engage in higher CSR conformity. However, the inverse U is flattened when a firm's supply chain partners (and their respective industries) share similar CSR standards, suggesting that a firm can only prioritize its own industry CSR norms if its supply chain partners share a compatible CSR standard. These findings highlight the importance of understanding CSR from an organizational conformity perspective, especially in the context of supply chain network.
Additive Manufacturing of Wet‐Spun Poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate)‐Based Scaffolds Loaded with Hydroxyapatite
Authors: Pecorini Gianni , Braccini Simona , Simoni Stefano , Corti Andrea , Parrini Gianluca , Puppi Dario
Published: March 2024

Tissue engineering represents an advanced therapeutic approach for the treatment of bone tissue defects. Polyhydroxyalkanoates are a promising class of natural polymers in this context thanks to their biocompatibility, processing versatility, and mechanical properties. The aim of this study is the development by computer‐aided wet‐spinning of novel poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) (PHBV)‐based composite scaffolds for bone engineering. In particular, PHBV scaffolds are loaded with hydroxyapatite (HA), an osteoinductive ceramic, in order to tailor their biological activity and mechanical properties. PHBV blending with poly(lactide‐co‐glycolide) (PLGA) is also explored to increase the processing properties of the polymeric mixture used for composite scaffold fabrication. Different HA percentages, up to 15% wt., can be loaded into the PHBV or PHBV/PLGA scaffolds without compromising their interconnected porous architecture, as well as the polymer morphological and thermal properties, as demonstrated by scanning electron microscopy, thermogravimetric analysis, and differential scanning calorimetry. In addition, HA loading results in increased scaffold compressive stiffness to levels comparable to those of trabecular bone tissue, as well as in higher in vitro MC3T3‐E1 cell viability and production of mineralized extracellular matrix, in comparison to what observed for unloaded scaffolds. The observed mechanical and biological properties suggest the suitability of the developed scaffolds for bone engineering.
Exploring Trauma Patterns and Contributing Factors With Slim Straight Electrode Array After Cochlear Implantation
Authors: Torres Renato , Daoudi Hannah , Gu Wenxi , Breil Eugénie , Ferrary Evelyne , Sterkers Olivier , Nguyen Yann , Mosnier Isabelle
Published: March 2024

Objective

To assess trauma patterns associated with the insertion of lateral wall electrode arrays. The study focused on 3 categories—scala tympani (ST), intermediate, and scala vestibuli (SV)—to identify traumatic patterns and contributing factors.

Study Design

Retrospective study.

Setting

Data from 106 cochlear implant recipients at a tertiary otologic center.

Methods

Demographic and surgical data were collected from recipients who underwent cochlear implantation manually and with RobOtol®. Measurements included cochlear dimensions, angular depth of insertion, and position of the first electrode. Three‐dimensional reconstructions were used to analyze the electrode array location relative to the basilar membrane, categorized into ST, intermediate, and SV electrodes. Nontraumatic insertion was defined as all electrodes in the ST, while traumatic insertions had 1 or more electrodes in intermediate or SV locations.

Results

Out of 106 cases, 44% had nontraumatic and 56% had traumatic insertions. Demographic and surgical characteristics showed no association with traumatic insertions. A deeper position of the first electrode, relative to the round window, was associated with traumatic insertions (P = .03). Three trauma patterns were observed: distal (facing the apical electrodes), proximal (facing the middle electrodes around 180°), and distal/proximal.

Conclusion

This study considers the intermediate position which could be associated with basilar membrane lesions. Risk zones for intracochlear trauma with lateral wall arrays were identified distally and proximally. Traumatic insertions were independently linked to deeper array placement. Future studies should explore whether gentler insertion, without insisting on further electrode array insertion depth, could reduce the trauma during cochlear implantation.
Fertility preservation in pediatric solid tumors: A report from the Children's Oncology Group
Authors: Bjornard Kari , Close Allison , Burns Karen , Chavez Josuah , Chow Eric J. , Meacham Lillian R.
Published: March 2024

Treatment for childhood solid tumors may lead to an increased risk for gonadal dysfunction/infertility. Discussion of risk should occur at diagnosis, any changes in therapy, and during survivorship. Gonadotoxic therapies were abstracted from 32 Children's Oncology Group (COG) phase III, frontline solid tumor protocols, in use from 2000 to 2022. Risk for gonadal dysfunction/infertility was assessed based on gonadotoxic therapies, sex, and pubertal status and assigned as minimal, significant, and high following the Oncofertility Consortium Pediatric Initiative Network (PIN) risk stratification. Most protocols (65.6%, 21/32) contained at least one therapeutic arm with a high level of increased risk. Solid tumor therapies present challenges in risk stratification due to response‐adjusted therapy and the need to account for radiation field in the risk assessment. This guide hopes to serve as a tool to assist in standardizing gonadotoxic risk assessments across disciplines and improve referral for fertility services and reproductive health counseling for patients receiving COG‐based solid tumor therapy. Internationally, many solid tumor therapies follow similar paradigms to COG studies, and risk stratifications may be generalizable to similar styles of therapy. In addition, this model may be applied to other international groups with the goal of standardizing fertility assessments.
Bergofungin D, a peptaibol template for the introduction of chemical modifications, synthesis of analogs and comparative studies of their structures
Authors: Das Sanjit , Salah Khoubaib Haj Ben , Wenger Emmanuel , Legrand Baptiste , Didierjean Claude , Inguimbert Nicolas
Published: March 2024

Bergofungin D is a helical peptide of the peptaibol family consisting of 14 amino acids, six of which are the helix inducer aminoisobutyric acid (Aib). In the second third of the sequence, a hydroxyproline causes a bending of the helix and a disruption of the hydrogen bond network, and Aib7 is the only amino acid in this region involved in the hydrogen bond network. Therefore, modification of this residue can serve as a probe to monitor the effect of introducing amino acid substitutions on this more fragile helical turn. To validate this approach, we simplified the original bergofungin D by reducing the number of non‐classical amino acids, replacing the (R)‐isovaleric acid by its enantiomer or an Aib and the hydroxyproline with a proline, respectively, without affecting its secondary structure. Within the modified structure, we replaced Aib7‐Aib8 by its 1,2,3‐triazolodipeptide equivalent or Aib7 by a serine or a dehydrobutyrine. We have reported and analyzed five crystal structures, three of which are new, demonstrating the usefulness of the modified bergofungin D as a probe for monitoring the introduction of amino acid substitutions within a helical structure.
Quantitative evaluation of trastuzumab deruxtecan pharmacokinetics and pharmacodynamics in mouse models of varying degrees of HER2 expression
Authors: Vasalou Christina , Proia Theresa A. , Kazlauskas Laura , Przybyla Anna , Sung Matthew , Mamidi Srinivas , Maratea Kim , Griffin Matthew , Sargeant Rebecca , Urosevic Jelena , Rosenbaum Anton I. , Yuan Jiaqi , Aluri Krishna C. , Ramsden Diane , Hariparsad Niresh , Jones Rhys D.O. , Mettetal Jerome T.
Published: March 2024

Trastuzumab deruxtecan (T‐DXd; DS‐8201; ENHERTU®) is a human epithelial growth factor receptor 2 (HER2)‐directed antibody drug conjugate (ADC) with demonstrated antitumor activity against a range of tumor types. Aiming to understand the relationship between antigen expression and downstream efficacy outcomes, T‐DXd was administered in tumor‐bearing mice carrying NCI‐N87, Capan‐1, JIMT‐1, and MDA‐MB‐468 xenografts, characterized by varying HER2 levels. Plasma pharmacokinetics (PK) of total antibody, T‐DXd, and released DXd and tumor concentrations of released DXd were evaluated, in addition to monitoring γΗ2AX and pRAD50 pharmacodynamic (PD) response. A positive relationship was observed between released DXd concentrations in tumor and HER2 expression, with NCI‐N87 xenografts characterized by the highest exposures compared to the remaining cell lines. γΗ2AX and pRAD50 demonstrated a sustained increase over several days occurring with a time delay relative to tumoral‐released DXd concentrations. In vitro investigations of cell‐based DXd disposition facilitated the characterization of DXd kinetics across tumor cells. These outputs were incorporated into a mechanistic mathematical model, utilized to describe PK/PD trends. The model captured plasma PK across dosing arms as well as tumor PK in NCI‐N87, Capan‐1, and MDA‐MB‐468 models; tumor concentrations in JIMT‐1 xenografts required additional parameter adjustments reflective of complex receptor dynamics. γΗ2AX longitudinal trends were well characterized via a unified PD model implemented across xenografts demonstrating the robustness of measured PD trends. This work supports the application of a mechanistic model as a quantitative tool, reliably projecting tumor payload concentrations upon T‐DXd administration, as the first step towards preclinical‐to‐clinical translation.
Ab initio investigation of potential energy curves of He2, He2+, and extrapolation by the machine learning method
Authors: Xu Shaofeng , Lu Aijiang , Zhong Xiaoxia , Guo Ying , Shi Jianjun
Published: March 2024

Diatomic molecules , are common compositions in plasmas using the helium as the working gas, and play key roles in quenching O2 and N2. However, the potential energy curve (PEC) of the first state obtained at the CASSCF level of theory is not accuracy and data of higher excited states of are lacking. Here, we calculated PECs of four excited states of and nine lowest electronic states of by employing CASSCF+MRCI/Aug‐cc‐pV5Z and CCSD(T)/Aug‐cc‐pV5Z level of theory with sample internuclear distance interval of 0.005 Å. PECs were extrapolated to the complete basis sets. There are double local maxima in PECs of three excited states , , . The machine learning method based on the Gaussian process was used to interpolate and extrapolate the PECs, and then vibrational wave functions are solved numerically. This ab initio investigation provided rotational‐vibrational constants and new data for experimental research in the future.
Non‐uniform active learning for Gaussian process models with applications to trajectory informed aerodynamic databases
Authors: Quinlan Kevin R. , Movva Jagadeesh , Perfect Brad
Published: March 2024

The ability to non‐uniformly weight the input space is desirable for many applications, and has been explored for space‐filling approaches. Increased interests in linking models, such as in a digital twinning framework, increases the need for sampling emulators where they are most likely to be evaluated. In particular, we apply non‐uniform sampling methods for the construction of aerodynamic databases. This paper combines non‐uniform weighting with active learning for Gaussian Processes (GPs) to develop a closed‐form solution to a non‐uniform active learning criterion. We accomplish this by utilizing a kernel density estimator as the weight function. We demonstrate the need and efficacy of this approach with an atmospheric entry example that accounts for both model uncertainty as well as the practical state space of the vehicle, as determined by forward modeling within the active learning loop.
In‐situ Synthesis of Highly Potent Antibacterial Copper‐Based MOFs/Sodium Alginate Composite Beads
Authors: Bradai Masika , Ait Radi Massillia , Zeggai Fatima Zohra , Karkachi Noureddine , Meghabar Rachid
Published: March 2024

The present study reports an environmentally friendly in‐situ synthesis of novel antibacterial copper‐based MOFs within the hydrogel network of sodium alginate. Two different copper‐based MOF/sodium alginate composite beads were prepared via the post‐treatment of copper‐ion‐crosslinked alginate hydrogels with two different ligand solutions, namely, tartaric acid and oxalic acid, at 100 °C for 24 h. The structural, thermal, and morphological properties of the prepared samples were investigated using Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM), and their antibacterial activities against gram‐positive (Staphylococcus aureus and Bacillus) and gram‐negative (Escherichia coli and Pseudomonas aeruginosa) strains were examined using the conventional disc diffusion method. The results demonstrated the success of the in‐situ synthesis of two distinct copper‐based MOFs with FTIR spectra, confirming the existence of characteristic bands of the ligands complexed to the sodium alginate matrix. Moreover, the XRD diffractograms revealed the formation of two distinct crystalline structures with well‐defined morphologies observed in the SEM images. In addition, thermal analysis showed that the prepared composite beads had enhanced thermal stability compared to the copper‐ion‐crosslinked alginate beads. Antibacterial testing revealed the strong capacity of the copper‐based MOFs/sodium alginate composite beads to deactivate the growth of all the bacterial strains used, with a minimum inhibition zone of 23 mm, which highlights the potential of the synthesized materials as highly potent antibacterial agents.
Recent Progress in Transformations of Azepine/Oxazepine/Thiazepine Derivatives
Authors: Doraghi Fatemeh , Ameli Mahmoud , Karimian Somaye , Larijani Bagher , Mahdavi Mohammad
Published: March 2024

Dibenzoazepine, dibenzoxazepine and dibenzothiazepine scaffolds are an important class of N‐heterocycles that possess multiple biological activities. Due to the widespread application of these motifs in drug discovery, the synthesis of tri‐cyclic seven‐membered imines/amines has gained huge attention of chemists. In the present review, we have highlighted recent advances in functionalization and cyclization reactions of these valuable organic compounds over the last six years.
Encapsulating Sb/MoS2 Into Carbon Nanofibers Via Electrospinning Towards Enhanced Sodium Storage
Authors: Li Zhihui , Wang Xiaomin , Wang Yongzhen
Published: March 2024

Metallic antimony (Sb) and molybdenum disulfide (MoS2) are identified as promising anode materials for sodium ion batteries (SIBs) owing to their high theoretical capacities. Herein, both Sb and MoS2 are integrated and fully embedded into carbon nanofibers (CNFs) to form Sb/MoS2@CNFs nanocomposite via an electrospinning technique followed by heat treatment. When employed as anode material for SIBs, the Sb/MoS2@CNFs electrode presents a reversible capacity of 282.7 mAh g−1 after 300 cycles at 1 A g−1, and even 197.5 mAh g−1 after 1350 cycles at a high current density of 5 A g−1. The superior sodium storage performance of the Sb/MoS2@CNFs can be ascribed to the synergistic effect of the integrated Sb/MoS2 components and their full encapsulation into the one‐dimensional (1D) conductive carbon nanofibers. The well‐dispersed Sb/MoS2 nanoparticles ensure good Na+ ions accessibility and high storage capacity, while 1D nanostructure facilitates ion/electron transport, tolerates the volume expansion, and prevents the Sb/MoS2 nanoparticles from aggregating during cycling. This work provides a simple and efficient synthetic route of multicomponent anode materials in advanced SIBs.
Rational Design of Cobalt Phthalocyanine (CoPc)‐Anchored TiO2 Nanorods for High‐Efficiency Selective Catalytic Oxidation
Authors: Zhu Simeng , Liu Peng , Hong Xinlin
Published: March 2024

Quinclorac is important precursor for pharmaceutical, agricultural, and synthetic chemistry. The state‐of‐art synthesis of quinclorac via condensation, chlorination and oxidative hydrolysis often uses homogeneous catalysts and strong acid oxidant agents to promote the catalytic oxidation, which requires huge manpower input for the late‐stage purification process and is usually environmentally unfriendly. In this work, we successfully fabricated a stable cobalt phthalocyanine (CoPc) Co‐based composite (CoPc/TiO2) by anchoring CoPc on the surface of TiO2 nanorods for the selective oxidation of 3,7‐dichloro‐8‐dichloro methyl quinoline (3,7‐D‐8‐DMQ) into quinclorac. More impressively, CoPc/TiO2‐2.5 %‐Mn‐Br exhibits a high selectivity of 91.9 % for the catalytic oxidation of 3,7‐D‐8‐DMQ to quinclorac in acetic acid, with a quinclorac yield of 86.4 %, which is approximately 2.43 times higher than that of pristine CoPc‐Mn‐Br. The obtained heterogeneous catalytic system shows good reusability. Detailed mechanistic investigations reveal that the system works through a free radical mechanism via the formation of Co2+/Co3+ redox cycles. This work provides a new understanding for the stabilization of reaction intermediates and facilitates the designs of catalysts for selective catalytic oxidation.
Multifunctional Iron–Porphyrin Additive for Hole‐Transporting Layer Toward Efficient and Stable Perovskite Solar Cells
Authors: Guo Minghuang , Liu Chensi , Wu Chenchen , Zhu Jingwei , Hu Ping , Li Yafeng , Li Junming , Wei Mingdeng
Published: March 2024

Spiro‐OMeTAD, as a crucial component of hole‐transporting layer (HTL), exhibits limited mobility and conductivity, and the lithium bis‐trifluoromethanesulfonimide dopant is sensitive to water vapor, which imposes restrictions on the photovoltaic properties of perovskite solar cells (PSCs). Herein, the iron–porphyrin (FePP) is introduced into Spiro‐OMeTAD solution as additive, which facilitates the oxidation process of Spiro‐OMeTAD, leading to the enhancement of hole mobility and hole extraction and transport. Besides, the surface Pb2+ defects of perovskite film are cured by the presence of carboxylic acids (COOH) in FePP. As a result, the photovoltaic properties of PSCs with FePP additive have been improved with a power conversion efficiency (PCE) of 21.58%. Moreover, FePP can further anchor Li+ ions in HTL to prevent it from being invaded by water vapor. Dramatically, the degradation of unencapsulated devices with FePP is suppressed significantly, which retains 82.0% of its original PCE under 10–20% relative humidity (RH) after 7100 h and maintains about 79.6% of its original PCE under 50–60% RH after 1000 h. Thus, this study shows that the design and development of multifunctional HTL additives holds great potential for achieving highly efficient and durable PSCs.
A Gastroenterologist's guide to drug interactions of small molecules for inflammatory bowel disease
Authors: Harnik Sivan , Ungar Bella , Loebstein Ronen , Ben‐Horin Shomron
Published: March 2024

Small molecule drugs are becoming increasingly used in the treatment of inflammatory bowel diseases (IBD). However, unlike monoclonal antibody drugs, which have few interactions with other medications, the pharmacokinetics of small molecule drugs are complex and may be influenced by a myriad of drug‐drug interactions (DDI) as well as by patient characteristics and food intake. This review aims to provide a concise practical guide to small molecule drug interactions for the use of IBD physicians. It starts with a brief overview of the main metabolizing enzymes and transporters involved in drug interactions and the Food and Drug Administration's (FDA) approach to determining drug‐interaction hazard thresholds. It is then followed by a more detailed review of the pharmacokinetics of five novel small molecules approved in IBD: Tofacitinib, Upadacitinib, Filgotinib, Ozanimod, and Etrasimod, including their known interactions and specific warnings. This review will also inform readers on challenges in determining the actual magnitude of interactions and their clinical relevance, including the arbitrary nature of some hazard thresholds, the inference of the impact on metabolizing enzymes and transporters from single‐drug assays which may not reflect poly‐pharmaceutical regimens, and other challenges in this field which the IBD physician needs to be cognizant of. In practice, before administering a small molecule drug, it is advisable to evaluate any potential interactions with other medications the patient is receiving. An increased awareness by health care professionals and patients, may reduce the possible risks associated with DDI of small molecule IBD drugs.
The Milan score: A novel manometric tool for a more efficient diagnosis of gastro‐esophageal reflux disease
Authors: Siboni Stefano , Sozzi Marco , Kristo Ivan , Boveri Sara , Rogers Benjamin D. , De Bortoli Nicola , Hobson Anthony , Louie Brian E. , Lee Yeong Yeh , Tolone Salvatore , Marabotto Elisa , Visaggi Pierfrancesco , Haworth Jordan , Ivy Megan L. , Greenan Garrett , Masuda Takahiro , Penagini Roberto , Barcella Benedetta , Coletta Marina , Theodorou Dimitrios , Triantafyllou Tania , Facchini Chiara , Tee Vincent , Bonavina Luigi , Cusmai Lorenzo , Schoppmann Sebastian F. , Savarino Edoardo , Asti Emanuele , Gyawali C. Prakash
Published: March 2024

Objective

A definitive diagnosis of gastroesophageal reflux disease (GERD) depends on endoscopic and/or pH‐study criteria. However, high resolution manometry (HRM) can identify factors predicting GERD, such as ineffective esophageal motility (IEM), esophago‐gastric junction contractile integral (EGJ‐CI), evaluating esophagogastric junction (EGJ) type and straight leg raise (SLR) maneuver response. We aimed to build and externally validate a manometric score (Milan Score) to stratify the risk and severity of the disease in patients undergoing HRM for suspected GERD.

Methods

A population of 295 consecutive patients undergoing HRM and pH‐study for persistent typical or atypical GERD symptoms was prospectively enrolled to build a model and a nomogram that provides a risk score for AET > 6%. Collected HRM data included IEM, EGJ‐CI, EGJ type and SLR. A supplemental cohort of patients undergoing HRM and pH‐study was also prospectively enrolled in 13 high‐volume esophageal function laboratories across the world in order to validate the model. Discrimination and calibration were used to assess model's accuracy. Gastroesophageal reflux disease was defined as acid exposure time >6%.

Results

Out of the analyzed variables, SLR response and EGJ subtype 3 had the highest impact on the score (odd ratio 18.20 and 3.87, respectively). The external validation cohort consisted of 233 patients. In the validation model, the corrected Harrel c‐index was 0.90. The model‐fitting optimism adjusted calibration slope was 0.93 and the integrated calibration index was 0.07, indicating good calibration.

Conclusions

A novel HRM score for GERD diagnosis has been created and validated. The MS might be a useful screening tool to stratify the risk and the severity of GERD, allowing a more comprehensive pathophysiologic assessment of the anti‐reflux barrier.

Trial registration

ClinicalTrials.gov (Identifier: NCT05851482).
Degradation of trimethoprim by advanced oxidation process using UV/TiO2and H2O2: Kinetic and economic aspects
Authors: Minh Dang Hong , Huyen Nguyen Thanh , Chinh Pham Duc , Phuong Nguyen Thi Lan , Dong Nguyen Thanh , Tan Nguyen Minh , Trang Nguyen Thi Thu
Published: March 2024

Trimethoprim (TMP) is an effective antibiotic for treating many different infections, but it can lead to water pollution and pose a threat of generating antibiotic‐resistant bacteria through waste in the drug manufacturing process, use, and excretion of humans as well as animals. Due to its strong and non‐selective oxidizing ability, advanced oxidation processes (AOPs) utilizing UV/TiO2and H2O2are more efficient in removing them than conventional wastewater treatment. This work investigates TMP degradation in different water substrates by AOPs using UV/TiO2and H2O2. The results show that the apparent reaction rate constant to the TMP's degradation in the de‐ion water matrix is 0.0379; 0.1937; and 0.209 min−1for UV/TiO2, UV/H2O2, and UV/TiO2/H2O2processes. The rate of degradation of TMP in hospital wastewater is lower than that of lake water and de‐ion water. The major intermediate products obtained from the degradation of TMP in de‐ion water by UV/TiO2/H2O2process were recognized as C14H19O4N4(m/z: 307), C5H7ON4(m/z: 139), and C5H6O2N4(m/z: 155). Finally, the cost of TMP treatment in de‐ion water by several AOPs using photocatalyst and hydrogen peroxide was calculated, it is 0.88 $/m3for UV/H2O2; 33.01 $/m3for UV/TiO2process, and 18.77 $/m3for UV/TiO2/H2O2process.
RETRACTED ARTICLE: The analysis of boric acid
effect on epithelial-mesenchymal transition of CD133 + CD117 + lung cancer stem
cells
Authors: Semerci Sevimli Tuğba , Sevimli Murat , Ghorbani Aynaz , Şahintürk Varol , Qomi Ekenel Emilia , Ertem Tuğba , Demir Cevizlidere Bahar , Altuğ Burcugül , Tomsuk Özlem , Uysal Onur , Güneş Bağış Sibel , Avci Hüseyin , Çemrek Fatih , Ahmadova Zarifa
Published: March 2024

Targeting lung cancer stem cells (LC-SCs) for metastasis may be an
effective strategy against lung cancer. This study is the first on
epithelial-mesenchymal transition (EMT) properties of boric acid (BA) in LC-SCs.
LC-SCs were isolated using the magnetic cell sorting (MACS) method. Tumor-sphere
formation and flow cytometry confirmed CSC phenotype. The cytotoxic effect of BA was
measured by MTT analysis, and the effect of BA on EMT was examined by migration
analysis. The expression levels of ZEB1, SNAIL1, ITGA5, CDH1, ITGB1, VIM, COL1A1,
and LAMA5 genes were analyzed by RT-qPCR. E-cadherin, Collagen-1, MMP-3, and
Vimentin expressions were analyzed immunohistochemically. Boric acid slightly
reduced the migration of cancer cells. Increased expression of transcription factor
SNAIL (p < 0.001), but not ZEB1, was observed
in LC-SCs. mRNA expression levels of ITGB1 (p < 0.01), ITGA5 (p < 0.001),
COL1A1 (p < 0.001), and LAMA5 (p < 0.001) increased; CDH1 and VIM decreased in
LC-SCs. Moreover, while E-cadherin (p < 0.001)
and Collagen-1 (p < 0.01) immunoreactivities
significantly increased, MMP-3 (p < 0.001) and
Vimentin (p < 0.01) immunoreactivities
decreased in BA-treated LC-SCs. To conclude, the current study provided insights
into the efficacy and effects of BA against LC-SCs regarding proliferation, EMT, and
cell death for future studies.

Graphical abstract
Arterial spin labelling magnetic resonance imaging and perfusion patterns in neurocognitive and other mental disorders: a systematic review
Authors: Ferreira Rita , Bastos-Leite António J.
Published: March 2024

We reviewed 33 original research studies assessing brain perfusion, using consensus guidelines from a “white paper” issued by the International Society for Magnetic Resonance in Medicine Perfusion Study Group and the European Cooperation in Science and Technology Action BM1103 (“Arterial Spin Labelling Initiative in Dementia”; https://www.cost.eu/actions/BM1103/). The studies were published between 2011 and 2023 and included participants with subjective cognitive decline plus; neurocognitive disorders, including mild cognitive impairment (MCI), Alzheimer’s disease (AD), frontotemporal lobar degeneration (FTLD), dementia with Lewy bodies (DLB) and vascular cognitive impairment (VCI); as well as schizophrenia spectrum disorders, bipolar and major depressive disorders, autism spectrum disorder, attention-deficit/hyperactivity disorder, panic disorder and alcohol use disorder. Hypoperfusion associated with cognitive impairment was the major finding across the spectrum of cognitive decline. Regional hyperperfusion also was reported in MCI, AD, frontotemporal dementia phenocopy syndrome and VCI. Hypoperfused structures found to aid in diagnosing AD included the precunei and adjacent posterior cingulate cortices. Hypoperfused structures found to better diagnose patients with FTLD were the anterior cingulate cortices and frontal regions. Hypoperfusion in patients with DLB was found to relatively spare the temporal lobes, even after correction for partial volume effects. Hyperperfusion in the temporal cortices and hypoperfusion in the prefrontal and anterior cingulate cortices were found in patients with schizophrenia, most of whom were on medication and at the chronic stage of illness. Infratentorial structures were found to be abnormally perfused in patients with bipolar or major depressive disorders. Brain perfusion abnormalities were helpful in diagnosing most neurocognitive disorders. Abnormalities reported in VCI and the remaining mental disorders were heterogeneous and not generalisable.
Wie wählt man einen guten, aber praktikablen Fragebogen?
Authors: Arlinghaus Clarissa Sabrina
Published: March 2024

Die BYTE Challenge ist eine kostenlose Online-Lernplattform für Schüler:innen ab Klasse 5. Zur Evaluation des Kursangebots wird ein starker, quantitativer Ansatz verfolgt. Bisher waren die Auswertungsmöglichkeiten des Teilnehmenden-Feedbacks aufgrund ordinalskalierter Antwortoptionen jedoch auf deskriptive Statistiken beschränkt. Um künftig aus einem breiteren Spektrum an Auswertungsmethoden schöpfen zu können, wurde der Fragebogen mit intervallskalierten Antwortoptionen überarbeitet. Die Überarbeitung des Fragebogens vereinbart theoretische Ansprüche und gewünschte Praktikabilität. In diesem Beitrag werden die in der BYTE Challenge intern gesammelten Überlegungen und Erfahrungswerte mit der Öffentlichkeit geteilt. Darüber hinaus werden anwendungsorientierte Empfehlungen für die auf Fragebögen basierende Evaluation anderer Praxisprojekte gegeben.
ESR essentials: MRI of the knee—practice recommendations by ESSR
Authors: Parkar Anagha P. , Adriaensen Miraude E. A. P. M.
Published: March 2024

Many studies and systematic reviews have been published about MRI of the knee and its structures, discussing detailed anatomy, imaging findings, and correlations between imaging and clinical findings. This paper includes evidence-based recommendations for a general radiologist regarding choice of imaging sequences and reporting basic MRI examinations of the knee. We recommend using clinicians’ terminology when it is applicable to the imaging findings, for example, when reporting meniscal, ligament and tendon, or cartilage pathology. The intent is to standardise reporting language and to make reports less equivocal. The aim of the paper is to improve the usefulness of the MRI report by understanding the strengths and limitations of the MRI exam with regard to clinical correlation. We hope the implementation of these recommendations into radiological practice will increase diagnostic accuracy and consistency by avoiding pitfalls and reducing overcalling of pathology on MRI of the knee.

Clinical relevance statement

The recommendations presented here are meant to aid general radiologists in planning and assessing studies to evaluate acute and chronic knee findings by advocating the use of unequivocal terminology and discussing the strengths and limitations of MRI examination of the knee.

Key Points

• On MRI, the knee should be examined and assessed in three orthogonal imaging planes.

• The basic general protocol must yield T2-weighted fluid-sensitive and T1-weighted images.

• The radiological assessment should include evaluation of ligamentous structures, cartilage, bony structures and bone marrow, soft tissues, bursae, alignment, and incidental findings.
Enhancing a deep learning model for pulmonary nodule malignancy risk estimation in chest CT with uncertainty estimation
Authors: Peeters Dré , Alves Natália , Venkadesh Kiran V. , Dinnessen Renate , Saghir Zaigham , Scholten Ernst T. , Schaefer-Prokop Cornelia , Vliegenthart Rozemarijn , Prokop Mathias , Jacobs Colin
Published: March 2024

Objective

To investigate the effect of uncertainty estimation on the performance of a Deep Learning (DL) algorithm for estimating malignancy risk of pulmonary nodules.

Methods and materials

In this retrospective study, we integrated an uncertainty estimation method into a previously developed DL algorithm for nodule malignancy risk estimation. Uncertainty thresholds were developed using CT data from the Danish Lung Cancer Screening Trial (DLCST), containing 883 nodules (65 malignant) collected between 2004 and 2010. We used thresholds on the 90th and 95th percentiles of the uncertainty score distribution to categorize nodules into certain and uncertain groups. External validation was performed on clinical CT data from a tertiary academic center containing 374 nodules (207 malignant) collected between 2004 and 2012. DL performance was measured using area under the ROC curve (AUC) for the full set of nodules, for the certain cases and for the uncertain cases. Additionally, nodule characteristics were compared to identify trends for inducing uncertainty.

Results

The DL algorithm performed significantly worse in the uncertain group compared to the certain group of DLCST (AUC 0.62 (95% CI: 0.49, 0.76) vs 0.93 (95% CI: 0.88, 0.97); p < .001) and the clinical dataset (AUC 0.62 (95% CI: 0.50, 0.73) vs 0.90 (95% CI: 0.86, 0.94); p < .001). The uncertain group included larger benign nodules as well as more part-solid and non-solid nodules than the certain group.

Conclusion

The integrated uncertainty estimation showed excellent performance for identifying uncertain cases in which the DL-based nodule malignancy risk estimation algorithm had significantly worse performance.

Clinical relevance statement

Deep Learning algorithms often lack the ability to gauge and communicate uncertainty. For safe clinical implementation, uncertainty estimation is of pivotal importance to identify cases where the deep learning algorithm harbors doubt in its prediction.

Key Points

• Deep learning (DL) algorithms often lack uncertainty estimation, which potentially reduce the risk of errors and improve safety during clinical adoption of the DL algorithm.

• Uncertainty estimation identifies pulmonary nodules in which the discriminative performance of the DL algorithm is significantly worse.

• Uncertainty estimation can further enhance the benefits of the DL algorithm and improve its safety and trustworthiness.