bluuebunny/crossref_metadata_2025 huggingface dataset:
A systematic review of outcomes associated with patients admitted to hospital with emergency haematuria
Authors: Kerdegari Nikki , Varma Raghav , Ippoliti Simona , Alexander Cameron , Nathan Arjun , Gallagher Kevin , Khadhouri Sinan , Byrnes Kevin , Bhatt Nikita , Kasivisvanathan Veeru
Published: February 2025

Objective

Unscheduled admission for haematuria accounts for 15% of all urological emergencies with over 25 000 patients admitted each year in the UK. It is associated with prolonged admission and poor clinical outcomes. This systematic review aims to determine current management strategies and outcomes in these patients.

Methods

A systematic search was performed in October 2023 across MEDLINE, EMBASE and Web of Science for randomised controlled trials and retrospective and prospective observational studies assessing the management of patients admitted as an emergency with haematuria. The primary outcome measure was the length of stay (LoS). Secondary outcomes included hospital readmission, mortality and health resource use.

Results

Three eligible publications with a total of 219 patients were identified. Mean length of stay was 5.8 days. The pooled mean age of unscheduled emergency haematuria was 74.8 years and 87.9% of patients were male. Bladder cancer was present in 17% of patients and, similarly, prostate cancer was present in 17% of patients.

Conclusions

Unscheduled admission for haematuria is associated with long LoS. This systematic review has demonstrated a lack of data reporting outcomes of unscheduled haematuria and its management strategies. There is a need to perform large‐scale prospective studies to better understand this cohort of patients.
Hydrocortisone treatment is associated with early recovery from severe septic shock in patients with obstructive pyelonephritis due to upper urinary tract stone
Authors: Otsuka Isamu , Nishimoto Koshiro , Kozako Taichi , Kanemaru Katsuhiro , Yamashita Yasuhiro , Kamoto Toshiyuki , Sawada Atsuro
Published: February 2025

Objectives

The administration of hydrocortisone in patients with severe septic shock contributes to early recovery in intensive care. The purpose of this study was to evaluate the effect of hydrocortisone on early recovery from severe septic shock in patients with obstructive pyelonephritis due to upper urinary tract stone (stone pyelonephritis).

Methods

From January 2018 to October 2023, of all patients admitted for treatment of stone pyelonephritis, 28 did not respond to initial fluid infusion and vasopressors for urosepsis. Among these 28 patients, 14 were administered hydrocortisone for recovery from early shock. Characteristics and noradrenaline administration time of patients treated or not treated with hydrocortisone were retrospectively analysed.

Results

In patients with septic shock associated with stone pyelonephritis unresponsive to initial fluid and vasopressors, noradrenaline administration time in the hydrocortisone group (28.7 ± 17.5 h) was significantly shorter than in the non‐treated group (46.0 ± 12.8 h, p = 0.006). The factors diabetes, blood culture results, age, performance status, severity of vital signs and laboratory data on sepsis severity were not significantly associated with the duration of noradrenaline administration.

Conclusions

Our findings suggest potential benefits of hydrocortisone administration for stone pyelonephritis unresponsive to initial fluid and vasopressors. Widespread adoption of hydrocortisone in the treatment of sepsis, which is common in intensive care, could become more important in urology.
Assessing Environmental Risks Factors in Anorectal Malformations: Case Report and Literature Review
Authors: Ortiz‐Fernandez Claudia , Campillo i López Ferran , Schneider Stephan Otto , Núñez Bernardo , Vidal Anton Foguet i
Published: February 2025

Introduction

Anorectal malformations are birth defects that affect 1 in 5000 live births. Despite the research, the cause is still unknown, but genetic and environmental factors have been described to contribute to its pathogenesis. We report the case of a child with an anterior ectopic anus in which prenatal environmental factors were systematically assessed using a screening evaluation interview, the Green Page, and a complete Pediatric Environmental History.

Case

A first born of a 29 year old woman with a history of epilepsy treated with high doses of lamotrigine, levetiracetam, and clobazam, and a subclinical hypothyroidism treated with levothyroxine. Periconceptional supplementation with 400mcg of folic acid, maternal and paternal smoking habit, and some occupational exposures to chemical hazards. No personal or family history of congenital malformations.

Discussion

Some previously related environmental factors were found, such as mother's epilepsy, high lamotrigine dose, tobacco exposure, air pollution, and in a lesser risk the use of levothyroxine. The Green Page and the Pediatric Environmental History could contribute to identifying and reducing environmental risks related to birth defects.
Hematoma, Perihematomal Edema, and Total Lesion Predict Outcome in Patients With Intracerebral Hemorrhage
Authors: Huang Qin , Wu Lin , Song Ziwei , Zhang Zhi , Kuang Hongla , Zhu Yuping , Zeng Chenying , Zhang Lanjiao , Zhang Hudie , Xu Zubing , Xu Wenyuan , Lin Jing
Published: February 2025

Background

The present study aimed to evaluate the predictive abilities of hematoma volume, perihematomal edema (PHE) volume, and total lesion (hematoma + PHE) volume for poor outcome in patients with intracerebral hemorrhage (ICH).

Methods

Patients admitted to our department between January 2015 and March 2023 were retrospectively enrolled according to the inclusion criteria and exclusion criteria. Demographic characteristics, clinical information, laboratory examinations, and imaging data were collected.

Results

We included 510 patients with initial computerized tomography (CT) scan (342 [67.1%] male, median age = 62 years); 142 patients had CT scans at admission and 72 h post ICH, and 350 patients had CT scans at admission and 5–9 days after onset. Multivariate logistic regression analysis revealed that absolute hematoma, absolute PHE, and absolute total lesion at admission; absolute hematoma and absolute total lesion at 72 h after onset; absolute hematoma, absolute PHE, and absolute total lesion at 5–9 days post ICH were independently related to poor outcome (p < 0.05). Furthermore, receiver operating characteristic curves demonstrated that the total volume of hematoma and PHE at 5–9 days post ICH was a better indicator to predict poor outcome, compared to other risk factors in patients with ICH (area under curve = 0.778, 95%CI: 0.729–0.826).

Conclusion

The total volume of hematoma and PHE at 5–9 days after onset had the highest ability in predicting poor outcome in patients with ICH.
Analysis of Ruddlesden‐Popper and Dion‐Jacobson 2D Lead Halide Perovskites Through Integrated Experimental and Computational Analysis
Authors: Akbar Basir , Chong Kil To , Tayara Hilal
Published: February 2025

Two‐dimensional (2D) lead halide perovskites (LHPs) have captured a range of interest for the advancement of state‐of‐the‐art optoelectronic devices, highly efficient solar cells, next‐generation energy harvesting technologies owing to their hydrophobic nature, layered configuration, and remarkable chemical/environmental stabilities. These 2D LHPs have been categorized into the Dion‐Jacobson (DJ) and Ruddlesden‐Popper (RP) systems based on their layered configuration respectively. To efficiently classify the RP and DJ phases synthetically and reduce reliance on trial/error method, machine learning (ML) techniques needs to develop. Herein, this work effectively identifies RP and DJ phases of 2D LHPs by implementing various ML models. ML models were trained on 264 experimental data set using 10‐fold stratified cross‐validation, hyperparameter optimization with Optuna, and Shapley Additive Explanations (SHAP) were employed. The stacking classifier efficiently classified RP and DJ phases, demonstrating a minimal variation between the sensitivity and specificity and achieved a high Balance Accuracy (BA) of (0.83) on independent test data set. Our best model tested on 17 hybrid 2D LHPs and three experimental synthesized 2D LHPs aligns well experimental outcomes, a significant advance in cutting edge ML models. Thus, this proposed study has unlocked a new route toward the rational classification of RP and DJ phases of 2D LHPs.
The combination of oleic acid, linoleic acid, palmitoleic acid, and α‐linolenic acid promoted the expansion of NK‐92 cells in vitro
Authors: Zhang Shumin , Huang Huimin , Zhang Jingwei , Zhao Yuanyuan , Tan Wen‐song , Cai Haibo
Published: February 2025

Cell culture medium is an important factor affecting the expansion of NK cells in vitro. As an important component of cell culture medium, lipids participate in various complex physiological activities of cells and significantly affect the expansion of cells. Using NK‐92 cells as a model, the lipid metabolism of NK cells in vitro was analyzed, and combined with the kinetic relationship between lipid metabolism and NK cell expansion. Four fatty acids, oleic acid, linoleic acid, palmitoleic acid, and α‐linolenic acid, were preliminatively identified as the key lipid combinations. The combination was preliminarily verified on the self‐developed serum‐free medium. It was found that when the key lipid combination was added according to the concentration in the serum, NK‐92 cells expansion reached 188.03 ± 33.34‐folds, which was significantly higher than 105.28 ± 13.23‐folds in the basic medium. Additionally, NK‐92 cells expanded by adding key lipid combinations could maintain cell killing function. Overall, this research provides technical support for the development of NK cell serum‐free medium.
Imaging‐Based Prediction of Ki‐67 Expression in Hepatocellular Carcinoma: A Retrospective Study
Authors: Cai Chiyu , Wang Liancai , Tao Lianyuan , Zhu Hengli , Ren Yongnian , Li Deyu , Li Dongxiao
Published: February 2025

Aim

This study aims to develop a non‐invasive, preoperative predictive model for Ki‐67 expression in HCC patients using enhanced computed tomography (CT) and clinical indicators to improve patient outcomes.

Methods

This retrospective study analyzed 595 post‐curative hepatectomy HCC patients. Patients were categorized into high (> 20%) and low (≤ 20%) Ki‐67 expression groups based on cellular proliferation levels. Radiomic features were extracted from enhanced CT scans and combined with clinical parameters to develop a predictive model for Ki‐67 expression.

Results

Key clinical factors impacting Ki‐67 expression in HCC included alpha‐fetoprotein (AFP), non‐smooth tumor margin, ill‐defined pseudo‐capsule, and peritumoral star node. From 1441 initially extracted radiomic features, 16 key features were selected using Lasso regression. These features were used to develop a radiomics model, which, when combined with clinical data, yielded an integrated predictive model with high accuracy. The combined model achieved an area under the curve (AUC) of 0.854 in the training group and 0.839 in the validation group. A nomogram based on this model was constructed, and its predictive accuracy was validated through calibration curves and decision curve analysis. A risk scorecard model was also constructed as a practical tool for clinicians to assess the risk level of high Ki‐67 expression, facilitating personalized treatment planning. Survival analysis demonstrated significant differences in 3‐year overall survival (OS) and progression‐free survival (PFS) rates between patients with high and low Ki‐67 expression, indicating the model's strong prognostic capability.

Conclusions

This study successfully developed a comprehensive model that integrates radiomic and clinical data for the preoperative prediction of Ki‐67 expression in HCC patients.
Significance of Gelsolin Superfamily Genes in Diagnosis, Prognosis and Immune Microenvironment Regulation for Endometrial Cancer
Authors: Jiang Senwei , Ye Minjuan , Wan Jing , Ye Qingjian , Qiu Suli , Yang Yuebo , Li Xiaomao
Published: February 2025

Background

Previously, anti‐CTLA4 and anti‐PD‐1/PD‐L1 immunotherapies have shown limited efficacy in MSI‐H/MMR‐D endometrial cancer, leading to poor clinical outcomes. The gelsolin superfamily, which includes GSN, SCIN, VILL, VIL1, CAPG, AVIL, SVIL, and FLII, plays crucial roles in cell motility and gene regulation.

Aims

The objective of this study is to explore the potential therapeutic and prognostic implications of the gelsolin superfamily in EC.

Materials & Methods

Data from TCGA, GEPIA, THPA, UALCAN, and Kaplan–Meier plotter databases were analyzed to investigate the expression and clinical relevance of gelsolin superfamily members. Co‐expression networks of the gelsolin superfamily were assessed using LinkedOmics, GeneMANIA, and NetworkAnalyst. The relationship between gelsolin superfamily and immune cell infiltration was investigated using TIMER, ImmuCellAI, and GEPIA.

Results

We found that high expressions of CAPG, AVIL, and SVIL were associated with poor prognosis, while high expressions of GSN and FLII were linked to better outcomes in EC. Functional enrichment analysis indicated the involvement of gelsolin superfamily members in pathways related to estrogen response, MYC targets, epithelial–mesenchymal transition, TGF beta signaling, MTORC1 signaling, oxidative phosphorylation, inflammatory response, and IL6‐JAK‐STAT3 signaling. Furthermore, gelsolin superfamily members demonstrated strong correlations with the levels of monocytes, natural killer T, naive CD4+ T, follicular helper T, and central memory T in EC. In vitro studies showed that silencing CAPG and FLII could inhibit proliferation and metastasis in endometrial cancer cell lines.

Conclusion

These findings indicate the significant association of gelsolin superfamily members with prognosis and immunological status in endometrial cancer.
Assessing the Economic Impact of Cancer Care: A Study on Out‐of‐Pocket Expenditures and Utilization in South Korea
Authors: Kim Do Hee , Kim Yejin , Park Jun Su , Lee Sang Gyu , Chang Hyuk‐Jae , Kim Tae Hyun
Published: February 2025

Introduction

Cancer remains one of the leading causes of mortality and financial distress worldwide. In South Korea, the government introduced a benefit extension system in 2013 aimed at mitigating the financial strain associated with cancer treatment. However, cancer patients continue to bear significant out‐of‐pocket (OOP) expenses. This study aims to quantify the incremental healthcare utilization and OOP expenditures incurred by cancer patients in South Korea.

Methods

Utilizing data from the 2019 Korean Health Panel (KHP), we assessed cancer‐related healthcare utilization and OOP expenditures. A generalized linear regression model, adjusted for demographic and socioeconomic variables, was employed. Healthcare utilization was measured by hospital admissions, outpatient visits, and emergency room (ER) visits, while OOP expenditures encompassed services including both covered and not covered by the National Health Insurance (NHI) system.

Results

Cancer patients experienced 0.39 more hospitalizations, 4.91 additional outpatient visits, and 0.11 more ER visits annually compared to non‐cancer patients. Their incremental OOP expenses amounted to $482.8 per year, with $340.2 attributable to inpatient services. Notable variations in healthcare utilization and expenditures were observed across different cancer types.

Discussion

Despite the implementation of the benefit extension system, cancer patients continue to face considerable OOP expenses, particularly for inpatient care. With cancer incidence expected to rise, there is a pressing need for more comprehensive healthcare policies that alleviate the financial burden and prioritize cost‐effective treatments for cancer patients.

Conclusion

This study underscores the substantial economic impact of cancer on South Korean patients. Expanding the benefit extension system and promoting cost‐effective care strategies are critical to easing the growing financial pressures on cancer patients.
Parents' Challenges in Children's Psychotherapeutic Interventions: A Phenomenological Study
Authors: Chuah Hooi Mei , Sumari Melati
Published: February 2025

Background

Parental engagement in a child's psychotherapeutic interventions for Emotional and Behavioural Difficulties (EBD) greatly influences the effectiveness of the treatment. However, various challenges can hinder parents' active participation in these interventions. Aim: To gain a deeper understanding of the challenges parents encounter while engaging in their child's psychotherapeutic interventions, this study explored the specific challenges faced by parents within the Malaysian context.

Materials and Methods

A transcendental phenomenological approach was used in this study to provide an in‐depth understanding of the challenges faced by parents during their engagement with their child's mental health services. Applying Seidman's three‐interview series, empirical voices from seven parents (six mothers and one father) in peninsula Malaysia were collected. The Stevick–Colaizzi–Keen method was used to analyse data collected from individual interviews.

Results

The parents' experiences of challenges in children's psychotherapeutic interventions uncovered three significant themes with seven subthemes. ‘Delivery of Therapy’ emerged as the first main theme, with cost of therapy, service accessibility and structure of therapy as subthemes. The second main theme was ‘Pre‐therapy Preparation’, with preparatory work before therapy and children's level of acceptance as subthemes. Finally, the third main theme was 'Therapist's Professionalism', with the therapist's credibility and working relationship with the therapist as the subthemes.

Discussion

Findings highlight challenges that hinder timely and effective psychotherapeutic interventions, adding emotional strain for parents.

Conclusion

Addressing these challenges through comprehensive mental health policies could empower all stakeholders to deliver high‐quality services and foster parental engagement.
From Body Positivity and Beyond: Investigating Affective Aesthetic Atmospheres of Influencers
Authors: Anderson Kelley Cours , Wallach Karen Anne , Albinsson Pia A. , Tracy Ryann
Published: February 2025

How do influencers create content on social media that shapes consumer experiences and discourse around beauty standards? While research recognizes the power of influencers to help motivate market‐level changes, limited research has investigated this performance, particularly related to content intended to resist existing aesthetic norms. This research explores how social media spaces are designed and modified within the wider discourse by leveraging critical video analysis of TikTok influencers within the context of the body positivity movement. Using findings from netnographic data, we introduce a conceptual framework that explains how influencers and various market actors co‐create an affective aesthetic atmosphere—a space offering aesthetic meanings with the subjective formation of an experience and its related emotional bricolage, herein aimed at resisting normative beauty standards. Implications address the impact on consumer well‐being, the beauty industry, and marketers.
Rapid Growth of a Hepatic Hydatid Cyst in a Pediatric Patient: A Case Report From Iran and Its Clinical Significance
Authors: Sayyahfar Shirin , Khamesipour Faham , Zarei Elham , Nasiri Javad
Published: February 2025

Hepatic hydatid cysts in pediatric patients present unique diagnostic and therapeutic challenges due to their rapid growth and potential to mimic other pathologies. This case highlights the importance of considering hydatid disease in the differential diagnosis of hepatic cysts, especially in children from endemic regions. The unusual rapid growth rate observed in pediatric cases, influenced by age‐related immune and tissue dynamics, underscores the need for heightened vigilance even when prior imaging appears normal. Timely recognition and intervention are crucial to preventing complications such as cyst rupture, secondary infection, and compression of adjacent organs. This case also illustrates the utility of serological and radiological tools in confirming the diagnosis and the role of surgical and pharmacological therapies in ensuring favorable outcomes. Clinicians must remain alert to atypical presentations, ensuring comprehensive evaluation and prompt treatment to improve prognosis and reduce the burden of complications associated with hydatid disease.
Recurrent Inflammatory State due to Severe Periarticular Calcifications in a Patient on Hemodialysis: A Case Report
Authors: Timsans Janis , Vilpakka Mari , Lusila Niilo , Kauppi Markku
Published: February 2025

This report highlights a severe manifestation of chronic kidney disease‐mineral and bone disorder (CKD‐MBD) in a hemodialysis patient: periarticular calcifications causing recurrent inflammation mimicking infection. Diagnostics excluded infections and autoimmune disorders, identifying CKD‐MBD as the cause. Low‐dose prednisolone effectively mitigated inflammation, reducing hospitalizations.
Osimertinib as Salvage Therapy in Advanced Non‐Small Cell Lung Cancer After Aumolertinib Resistance With T790M Mutation: A Case Report
Authors: Tang Yongtong , Xu Jilan , Chen Qingle , Lu Jianping , Ren Li , Lan Taihe , Liao Taihua , Chen Xiaoling , Yi Hui , Zhang Jun , Huang Jie
Published: February 2025

The third generation of epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors (TKIs) is recommended universally as the standard treatment for non‐small cell lung cancer (NSCLC) carrying the EGFR T790M mutation. With the approval of multiple third‐generation EGFR‐TKIs, questions have arisen regarding the differences in their efficacy and how to select the most appropriate agent for individual patients. The study reports a case of an advanced NSCLC patient with multiple brain metastases. The patient initially received the pemetrexed plus carboplatin (PC) regimen for 5 months and displayed stable disease. Upon disease progression, the patient was treated with aumolertinib as second‐line treatment due to the detection of EGFR L858R and T790M mutations, but the symptoms of brain metastases deteriorated. Switching to osimertinib successfully relieved the patient's symptoms and achieved a long progression‐free survival (PFS) of nearly 2 years. Leptomeningeal metastasis was then definitively diagnosed, and the patient eventually died approximately 4 months after osimertinib resistance. This case suggests that osimertinib may be a viable option for EGFR‐mutant NSCLC patients after aumolertinib failure, especially for those with intracranial metastases.
Laparoscopic Cholecystectomy in Situs Inversus Totalis: A Case Report
Authors: Lakhey Prapti , Shrestha Milan , Sharma Rishav , Lakhey Paleswan Joshi
Published: February 2025

Situs inversus totalis is a rare condition characterized by the mirror image of the normal abdominal and thoracic viscera. Since the gallbladder is located in the left upper quadrant in this subset of patients, the diagnosis of symptomatic cholelithiasis poses a difficulty. Similarly, laparoscopic cholecystectomy in these patients is more demanding and presents technical challenges, especially for right‐handed surgeons. Herein, we report a case of a 30‐year‐old female who was a known case of situs inversus totalis and was diagnosed with symptomatic cholelithiasis and subsequently underwent laparoscopic cholecystectomy with an uneventful post‐operative period. The challenge while performing laparoscopic cholecystectomy in patients with situs inversus totalis calls for appropriate perioperative preparation and necessary modifications in the operative setup for the safe and successful operation of the patient, which is discussed in this report.
Intraoperative Fluoroscopic Verification of Satisfactory Foraminotomy in Posterior Open Decompression Surgery for Lumbar Foraminal Stenosis: A Clinical Image
Authors: Kapetanakis Stylianos , Bladowska Joanna , Tsioulas Paschalis , Tsolakidis Georgios , Siopis Christos , Gkantsinikoudis Nikolaos
Published: February 2025

Lumbar spinal stenosis (LSS) represents an increasingly encountered disorder in current clinical practice, being unfavorably associated with chronic low back pain, progressive neurologic decline and disability. LSS represents the major etiology for spine surgery in elderly individuals. In the era of continuous development of novel full‐endoscopic techniques, conventional open surgery with decompression of neural elements and with or without fusion of the compromised segment continues to represent the current gold standard for surgical management of these patients. In cases with foraminal stenosis, foraminal decompression with mobilization of the exiting nerve root represents the primary aim of surgery. However, intraoperative proper identification of the extent of decompression may be problematic in specific cases with significantly altered anatomy. The aim of this clinical image is to present a rare case of a patient with symptomatic foraminal stenosis, in which the rate of satisfactory foraminal decompression was intraoperatively verified via routine C‐arm fluoroscopy. To our best knowledge, the utilization of fluoroscopy for verification of the extent of decompression in lumbar foraminal stenosis has never been reported in contemporary literature. Therefore, except for routine localization purposes, intraoperative fluoroscopy may be considered an additional measure to assess foraminal decompression in such cases.
Advances in Study on Methanol Oxidative Carbonylation to Dimethyl Carbonate
Authors: Peng Lulu , Song Weihao , Ren Jun
Published: February 2025

Dimethyl carbonate (DMC) is one of the important green chemicals, and the oxidative carbonylation of methanol is thermodynamically beneficial, which has been regarded as the most promising route for DMC synthesis. Herein, this review highlights recent developments in various catalysts for synthesizing DMC via oxidative carbonylation of methanol. In particular, the preparation methods, structural optimization as well as catalytic performance regulation for the most studied carbon supported copper catalysts was summarized and discussed in a comprehensive perspective. In addition, the main product and by‐products formation pathways, and reaction mechanisms of methanol oxycarbonylation were elaborated thoroughly. Finally, the current status of industrilization for the DMC synthesis via methanol oxycarbonylation was summarized. This work provided a theoretical basis and practical guidance for the oxycarbonylation of methanol, which is helpful to develop highly efficient and stable catalysts so as to accelerate and update the DMC systhesis technology.
Anionic engineering of ReS2‐Re2O7‐Ni(OH)2/NF heterostructure for enhanced alkaline hydrogen evolution
Authors: Hu Jing , Liu Yinan , Al-Salihy Adel , Zhou Yuru , Fan Wenyu , Tao Panpan , Huang Haitao , Li Haijin , Chen Mengxin , Li Siwei
Published: February 2025

Rhenium disulfide (ReS2) has garnered increasing attention in the field of electrocatalysis as a highly promising catalyst for hydrogen evolution reaction (HER), whereas regulating the in‐plane catalytic activity and electrical conductivity of ReS2 remains a challenge. Herein, self‐supported ReS2‐Re2O7‐Ni(OH)2 nanoelectrodes with high conductivity were grown on nickel foam through a mild electrodeposition method combined with an anion engineering strategy. Density functional theory (DFT) calculations reveal the moderate adsorption of the reaction intermediate H on the Re site, while current density simulations indicate that the ReS2‐Re2O7‐Ni(OH)2/NF material exhibits higher conductivity and a uniform current density distribution. As a consequence, the optimized ReS2‐Re2O7‐Ni(OH)2/NF material demonstrates excellent HER activity and long‐term stability in alkaline media (1 M KOH), achieving a low overpotential of 83 mV vs. RHE at a current density of 10 mA cm‐2, a Tafel slope of 77 mV dec‐1, and maintains long‐term stability of 72 h. The strategy of anion engineering offers a new perspective in the design and development of highly efficient electrocatalysts for energy conversion and storage applications.
Deciphering the electrochemical activity and selectivity of earth‐abundant transition metal‐based catalysts for the alcohol electrooxidation – current status
Authors: Braun Michael , Andronescu Corina
Published: February 2025

Since alternative anode reactions such as the electrochemical alcohol oxidation reaction (AOR) are becoming increasingly important for water electrolysis in the course of a sustainable defossilization and electrification of the energy and chemical industry, this paper reviews the progress in understanding the electrocatalytic activity and selectivity of non‐noble metal‐based (non‐NMB) catalysts regarding AOR and especially the glycerol oxidation reaction (GOR). Starting from Ni‐based catalysts, the review aims to consolidate the current state of knowledge for improving electrocatalytic activity based on mechanistic models and to transfer it to Co‐ and Cu‐based materials. Several main influences on the catalytic activity can be identified via the involvement of metal ions (metal redox reactions) or oxygen species (oxygen redox reactions), which lead to the importance of M‐O motifs for the electrocatalytically active ensemble on the surface of an electrically conductive non‐NMB catalyst. In addition to the electrocatalytic activity, this work delves into possibilities for influencing the selectivity during AOR, which include the catalyst itself, electrode potential, or the pH value of the electrolyte. Furthermore, the alcohol’s chemical structure proves to be crucial, especially when oxidizing vicinal alcohols, because differentiating products from oxidative (pseudo)glycol cleavage and hydrogen atom transfer can complicate understanding selectivity influences.
A Multiple Linear Regression–Based Algorithm to Correct for Cosmic Rays in Raman Images
Authors: Mitsutake Hery , de Paula Eneida , Bordallo Heloisa N. , Rutledge Douglas N.
Published: February 2025

Raman imaging is a powerful technique for simultaneously obtaining chemical and spatial information on diverse materials. One of the most common detectors used on Raman equipment is the charge coupled detector (CCD) due its high sensitivity. However, CCDs are also sensitive to cosmic rays, that generate very narrow and intense signals: cosmic ray spikes. Since these peaks can be very intense and numerous, it is important to eliminate them before any data analysis. Some methods to do this use comparison of neighboring pixels to identify spikes, but when using the line‐scanning acquisition mode, it is common that these spikes appear in two or more pixels close together. Thus, in this work, a new algorithm has been developed to correct for cosmic ray spikes in Raman images, based on multiple linear regression (MLR). This algorithm takes less than 1 min in images with more than 70,000 spectra and removes all spikes, even those at low intensity.
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction
Authors: Nini Meryem , Nohair Mohamed
Published: February 2025

In this paper, an innovative method for the simultaneous determination of nitrite, nitrate, and COD in water in the presence of turbidity as a source of noise in spectroscopic data has been investigated. UV–Vis absorption spectrometry and advanced machine learning are proposed to develop a stacking model, a sophisticated modeling approach that combines several basic models (PLS, Lasso, and Ridge regression) and a meta‐regressor (Random Forest regressor) to improve prediction accuracy by incorporating baseline correction and principal component analysis (PCA) to mitigate the effects of turbidity on spectroscopic data. After applying these corrections, a significant improvement was observed: The root mean square error (RMSE) and the mean absolute error (MAE) were significantly reduced, and the correlation coefficient (R2) between predicted and actual values of nitrite, nitrate, COD, and turbidity was greater than 0.96, for all compounds in the test data set, that demonstrate the ability of the proposed stacking model to accurately predict nutrient concentrations simultaneously, even in complex environments; the proposed model may provide a valuable alternative to wet chemical methods. Due to its high accuracy and fast response, the proposed model can be used as an algorithm for the construction of nutrient sensors. This paper highlights the importance of integrating advanced modeling and data correction techniques to improve the robustness and accuracy of predictive models in environmental chemistry, thus providing valuable information for environmental monitoring and management.
Unlocking New Frontiers: Photo‐Isomerism and Magnetic Properties in Multifunctional Hetero‐Tetra‐Metallic Complexes
Authors: Suzana Ingrid , Forté Jérémy , Pillet Sébastien , Bendeif El-Eulmi , Malischewski Moritz , Marvaud Valerie
Published: February 2025

Hetero‐tetra‐metallic complexes, FeNOCuLnCo (Ln = Gd, Tb, Dy), combining magnetic properties and photo‐isomerism, were obtained through the rational assembly of the photo‐switching nitroprusside anion FeNO with new magnetic Schiff base CuLnCo precursors. Herein, we describe the synthesis and characterisation of these compounds followed by a demonstration of their multifunctional character. Particularly noteworthy is the FeNOCuTbCo complex, one of the few examples of a photo‐isomerizable single‐molecule magnet (SMM) and a significant first step toward achieving synergistic properties.
A Conjugated Porous Organic Polymer as a Metal‐Free Bifunctional Electrocatalyst for Enhanced Water Splitting
Authors: Chakraborty Argha , Roy Saraswati , Hassan Afshana , Porwal Pragti , Sarkar Sayantan , Ahmad Dar Manzoor , Roy Sounak , Mukhopadhyay Suman
Published: February 2025

A conjugated porous organic polymer (SMCOP‐4) with imine linkage and triazine functional moiety was rationally designed and synthesized by an imine condensation reaction. The π‐conjugated network of SMCOP‐4 facilitates electron mobility, enhancing electrochemical activity. Metal‐free electrocatalyst SMCOP‐4 shows superior performance for HER and OER with a low overpotential of 139 mV and 295 mV, respectively, at 10 mA cm−2 current density and with small Tafel slopes in alkaline electrolytes. Along with the low overpotential values, the electrocatalyst is highly stable at electrochemical conditions. Further, density functional theory calculations were carried out to identify the most active sites in catalyzing the HER and OER on the SMCOP‐4 catalyst.
Bioinspired Total Synthesis and Structural Reidentification of Alstrostines
Authors: Hiruma Daiki , Yoshidome Akiho , Rakumitsu Kenta , Kitajima Mariko , Hitora Yuki , Tsukamoto Sachiko , Schinnerl Johann , Brecker Lothar , Ishikawa Hayato
Published: February 2025

Alstrostine A and isoalstrostine A are monoterpenoid indole alkaloid glycosides with unique structures found in the plant families Apocynaceae and Rubiaceae. With molecular weights exceeding 900, nine chiral centers (excluding sugar rings), and complex fused‐ring structures, the structural elucidation of these molecules using spectral analysis is highly challenging. Therefore, their structural identification through total synthesis is important in both natural product chemistry and synthetic organic chemistry. In this study, we successfully accomplished the first asymmetric total syntheses of these alkaloids in 18 or 19 steps. A key synthetic feature was a two‐ or three‐component coupling reaction between secologanin and a pyrrolidinoindoline moiety based on our proposed biosynthetic pathway. This approach enabled the synthesis of all isomers of the pyrrolidinoindoline ring, which constitutes the upper fragment of the alstrostines, and allowed us to revise the stereochemistry of alstrostine A. Additionally, a compound previously isolated as alstrostine A from Palicourea luxurians (Rubiaceae) was successfully reidentified and renamed as epialstrostine A.
Photoinduced Radical Luminescence of Diazapyrene Derivatives upon Complexation with Cucurbit[n]uril Hosts
Authors: Wang Chunmei , Xia Zengyan , Han Xie , Zhao Zhiyong , Liu Simin
Published: February 2025

Molecular design with an electron donor‐acceptor (D‐A) structure and host‐guest complexation are effective strategies for stabilizing radicals. Herein, we report the design and synthesis of cationic diazapyrene derivatives featuring a D‐A structure, as well as the influence of host‐guest complexation on their photoinduced organic radical photophysical properties. Compared to the methylated diazapyrene 1, the other three derivatives 2‐4, containing triphenylamine, coumarin, and naphthalene units as D groups, respectively, are more favorable for the generation of radicals. Binding studies reveal that cucurbit[8]uril (CB[8]) forms 1:1 inclusion complexes with derivatives 2‐4, while CB[10] forms a 2:2 inclusion complex with 2 and supramolecular polymers with 3 and 4. The radical luminescence of derivatives 1‐4 in aqueous solution is significantly promoted upon complexation with CB[8] or CB[10]. Additionally, the emission color of 3 shifts from cyan to yellow‐green upon light irradiation in the presence of CB[8].
Crystal phase engineering of TiO2 for efficient photocatalytic non‐oxidative methane coupling
Authors: Zhang Chengcheng , Wang Jing , Che Lina , Shi Li
Published: February 2025

Photocatalytic non‐oxidative coupling of methane (NOCM) is an appealing approach to produce ethane and hydrogen, however, most developed photocatalysts still suffer from low activity. Here, we demonstrate that the crystal phase engineering of TiO2 via thermal annealing of Ti metal‐organic frameworks (MOFs) can afford high photocatalytic NOCM performance in a flow reactor under UV‐visible light irradiation. The characterization results show that engineering the TiO2 crystal phase can improve the separation efficiency of photogenerated charge carriers and promote the formation of •CH3 intermediate, thus achieving the improved performance of photocatalytic NOCM reaction. This research provides a new perspective towards the design and construction of efficient photocatalysts for NOCM reaction.
Chalcogen Vacancies as Key Drivers of Distinct Physicochemistry in MoS2, MoSe2, and MoTe2 for Selective Catalysis
Authors: Piosik Emilia , Szary Maciej
Published: February 2025

The catalytic performance of Mo‐based transition‐metal‐dichalcogenide (TMD) monolayers is intrinsically tied to their physicochemical properties. However, the limited chemical diversity among these materials constrains their versatility for key catalytic processes, including carbon dioxide (CRR), nitrogen (NRR), and oxygen (ORR) reduction reactions. This study employs density functional theory (DFT) calculations to investigate the impact of chalcogen vacancies on the properties of MoS2, MoSe2, and MoTe2, focusing on the adsorption behaviors of CO, NO, and NO2. The findings reveal that chalcogen vacancies not only enhance surface reactivity but also impart distinctive physicochemical characteristics to each TMD. These effects arise from intrinsic bonding differences, resulting in distinct charge availability at exposed Mo atoms and variations in vacancy dimensions, which shape specific surface interactions. Hence, while adsorption differences between pristine surfaces are generally negligible for catalysis, vacancies amplify them by over an order of magnitude, resulting in pronounced material‐specific behaviors. Moreover, varying vacancy dimensions affect how species incorporate into defects, further enhancing the differences. These characteristics unlock substantial potential of TMD sheets for distinct surface chemistries, transforming them from relatively similar to markedly different as defect density rises. Consequently, our findings provide fundamental insights for tailoring these materials toward applications in electro‐ and photocatalysis.
External Phosphate Binding Triggered Formation of Coordination Bridged Dimer of Macrocyclic Trinuclear Complex
Authors: Zhao Jiachen , Varzhel Nadiia , Hokimoto Yuya , Nakamura Takashi
Published: February 2025

Macrocyclic complexes with spatially‐arranged coordination sites have the potential to create unique supramolecular systems that combine the precise switching of self‐assembled structures with the coordinative recognition of specific molecules. We now report a macrocyclic trinuclear Zn complex that undergoes a unique dimerization by molecular binding from the outside. The multinuclear complex was synthesized from a trispap ligand, a designed macrocyclic trimer of an N,N,O‐type tridentate chelating unit pap. This macrocyclic ligand is capable of fixing the metal centers and retaining their exchangeable coordination sites. The macrocyclic trimer reacts with zinc acetate to form the trinuclear complex, in which the coordination sites of the three zinc atoms are aligned perpendicular to the macrocyclic plane and capped with the acetates. Subsequently, phosphate anion, PO43–, coordinates from one side of the macrocycle in a tripodal manner. This phosphate binding produced an electrically‐neutral complex moiety with available coordination sites on the other side of the macrocycle which leads to the formation of the coordination‐bridged dimer.
Exploring Naproxen Cocrystals Through Solid‐State Vibrational Circular Dichroism
Authors: Sklenář Adam , Zehnacker‐Rentien Anne , Kaminský Jakub , Rohlíček Jan , Bouř Petr
Published: February 2025

Vibrational circular dichroism (VCD) spectroscopy appears as a useful method for characterizing optically active substances in the solid state. This is particularly important for active pharmaceutical ingredients. However, measurement and interpretation of the spectra bring about many difficulties. To assess the experimental and computational methodologies, we explore an anti‐inflammatory drug, naproxen. Infrared (IR) and VCD spectra of the pure compound and its cocrystals with alanine and proline were recorded, and the data were interpreted by quantum chemical simulations based on a cluster model and density functional theory. Although unpolarized IR spectroscopy can already distinguish pure ingredients from cocrystals or a mixture, the VCD technique is much more sensitive. For example, the naproxen carboxyl group strongly interacts with the zwitterionic alanine in the cocrystal via two strong hydrogen bonds, which results in a rather rigid structure crystallizing in the chiral P212121 Sohncke group and its VCD is relatively strong. In contrast, the d‐proline and (S)‐naproxen cocrystal (P21 group) involves a single hydrogen bond between the subunits, which together with a limited motion of the proline ring gives a weaker signal. Solid‐state VCD spectroscopy thus appears useful for exploring composite crystal structures and interactions within them, including studies of pharmaceutical compounds.
The impact of repeated drug desensitisation on quality of life in drug hypersensitivity
Authors: Gorgulu Akin Begum , Kepil Ozdemir Secil , Doganay Erdogan Beyza , Gelincik Asli , Goksel Ozlem , Dursun Adile Berna , Isık Sacide Rana , Demir Semra , Akten Hatice Serpil , Bavbek Sevim
Published: February 2025

Background

Measurement of disease‐specific quality of life (QOL) is crucial in evaluating the effects of disease and response to treatment. Patients' efforts to avoid the responsible medication can have a negative impact on the QOL of patients with drug hypersensitivity reactions (DHRs). The Drug Hypersensitivity QOL Questionnaire (DrHy‐Q) is the only specific tool measuring disease specific QOL in patients with DHRs.

Objective

To evaluate the effect of repeated drug desensitisation on disease‐specific QOL using the Turkish version of DrHy‐Q in a prospective multicentre study.

Methods

Patients scheduled to undergo repeated desensitisations with the same drug were included in the study. Baseline DrHy‐Q scores were recorded for each patient prior to the commencement of the desensitisation procedure. DrHy‐Q scores were then calculated following each desensitisation procedure.

Results

The study included 111 patients with two or more desensitisations (age mean ± SD, years: 53.87 ± 11.36, F/M:94/17). The drugs most implicated in DHRs were chemotherapeutics (91 of 111 patients, 82%) followed by biologicals (16 of 111 patients, 14.4%). Before the desensitisation process, the median (min–max) pre‐DrHy‐Q score was 39 (16–74). The median (min–max) DrHy‐Q scores after the first three desensitisation were 35 (19–69), 34 (15–68) and 35 (15–64), respectively. There was a statistically significant improvement in DrHy‐Q scores after the first three desensitisation in comparison with baseline.

Conclusion

The health‐related disease‐specific QOL of patients with hypersensitivity to drugs significantly improved after the first three, but not after subsequent drug desensitisations, as compared to baseline.
Advances in Lipid Nanoparticle‐Based Disease Treatment
Authors: Zhou Yujie , Ge Qiqi , Wang Xin , Wang Yuhui , Sun Qianqian , Wang Jianhao , Yang Tie , Wang Cheng
Published: February 2025

Lipid nanoparticles (LNPs) have emerged as a transformative platform for the targeted delivery of therapeutic agents, revolutionizing treatment paradigms across a spectrum of diseases. Since the inception of liposomes in the 1960s, lipid‐based nanotechnology has evolved to address limitations such as poor bioavailability, off‐target effects, and instability, thereby enhancing the efficacy and safety of drug administration. This review highlights the latest advancements in LNPs technology, focusing on their application in cancer therapy, gene therapy, infectious disease management, glaucoma, and other clinical areas. Recent studies underscore the potential of LNPs to deliver messenger RNA (mRNA) and small interfering RNA (siRNA) for precise genetic intervention, exemplified by breakthroughs in RNA interference and CRISPR‐Cas9 genome editing. Additionally, LNPs have been successfully employed to ameliorate conditions, demonstrating their versatility in addressing both acute and chronic disorders. However, challenges persist concerning large‐scale manufacturing, long‐term stability, and comprehensive safety evaluations. Future research must focus on optimizing formulations, exploring synergistic combinations with existing therapies, and expanding the scope of treatable diseases. The integration of LNPs into personalized medicine and the exploration of applications in other diseases represent promising avenues for further investigation. LNPs are poised to play an increasingly central role in the development of next‐generation therapeutics.
Metal‐Catalyzed Cross‐Coupling for the Synthesis of β‐Lactam Drugs and Related Chemical Probes
Authors: Bresson Jules , Burke Katie , Ethève-Quelquejeu Mélanie , Iannazzo Laura , Cariou Kevin
Published: February 2025

Antimicrobial resistance is a major public health threat, due to the emergence of new bacterial strains not responding to classical antibiotics. This review focuses on the use of transition metal cross‐coupling strategies used to access new β‐lactam derivatives, the most well‐known and commonly used antibiotics. This manuscript covers the seminal studies for the synthesis of antibiotics up to the current need of accessing specific probes (by functionalizing existing drugs), crucial for the detection of resistances. These strategies also allow the linkage of a cargo to a β‐lactam antibiotic for selective release for either therapeutic effect or for diagnostic purposes (in the case of probes), which will be explained in this article