bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unilateral renal mucormycosis in a patient presenting with pyelonephritis and acute kidney failure: A case report
Authors: Darouei Bahar , Zare Mohammad Mehdi , Torkashvan Hedie , Esfahani Abbas Ali Torfeh 
Published: May 2024

Key Clinical MessageUnilateral renal mucormycosis is a rare infection that should be suspected in patients with recurrent renal infections presenting nonspecific clinical features that do not respond to conventional therapies, especially in impaired immune systems due to related risk factors. Moreover, histopathological examinations should be performed to confirm the diagnosis. For treatment, the preference is that the patient is hospitalized, and surgical intervention and rapid administration of intravenous antifungals for 2–3 weeks are the treatment choices. After discharge, the patient should be followed up with periodic blood urea nitrogen and creatinine levels and, if needed, an imaging modality such as a CT scan or sonography.AbstractRenal mucormycosis (RM) is a rare form of mucormycosis infection and is more often in immunocompromised patients with risk factors. Unilateral renal involvement is infrequent in patients and is available as case reports. This condition usually presents with renal colic, fever and chills, and oliguria and has a high mortality rate. Herein, we report a case of unilateral renal mucormycosis presenting with pyelonephritis and acute kidney injury in a 32‐year‐old patient. The patient had numerous urological procedures in previous years due to nephrolithiasis state, which put him in an immunocompromised state. The histopathological examination of the pylocalyceal system revealed a collection of broad non‐septated fungal hyphae branching at 90° accompanied by numerous neutrophils and necrotic tissue in favor of mucormycosis. He was successfully treated with 5 mg/kg/day Liposomal Amphotericin B for 3 weeks, discharged with good general condition, and remained asymptomatic for 3 months after discharge. The diagnosis of RM relies on solid clinical suspicion, which can be authenticated by histopathological examination, and the combination of antifungal therapy and surgical intervention can result in a good outcome.
Early diagnosis and treatment of perianal Crohn's disease in a 1‐year‐old infant: Case report and review of literature
Authors: Mansour Marah , Doumet Georgette , Kadan Ahmad , Bajour Dina , Madania Marwa , Alsarraj Muhammad Adnan , Alhamwi Ahmad , Antakli Kamar , Almohammad Abdullah , Saiouf Yaman , Mahmod Jaber 
Published: May 2024

Key Clinical MessageInflammatory bowel disease is rare in infants and it includes perianal Crohn's disease, which is inflammation at or near the anus. An early diagnosis is essential to prevent the complications that may affect the development and growth of the child.
A case of transanal protrusion of ventriculoperitoneal shunt in an adult patient without any classic symptoms of bowel perforation
Authors: Mirjalali Kimia , Seyedyousefi Sarah 
Published: May 2024

Key Clinical MessageThis report emphasizes the significance of acknowledging infrequent yet severe complications such as bowel perforation and transanal protrusion post ventriculoperitoneal shunt (VPS) surgery. VPS patients should be observed for atypical indicators and manifestations that could suggest the presence of such complications, even in the lack of traditional clinical signs of peritonitis or bowel perforation.AbstractPlacing an intracranial shunt, may be a reasonable approach to decrease the complications of hydrocephalus and it can be done either simultaneous to cranioplasty or not. Ventriculoperitoneal shunts were first proposed in 1905 and has been used since. Similar to any other procedure, there are different complications to this surgery. Abdominal complications, including peritoneal pseudocysts, intestinal volvulus, protruding in hernial sac or extrusion through vagina, scrotum, umbilicus or gastrointestinal tract, are rare but according to previous studies happen in 5%–47% of cases. Bowel perforation is a rare complication and can happen in 0.01%–0.07% of patients. It's also worth mentioning that only 25% of patients with bowel perforation experience the classic clinical symptoms of peritonitis or bowel perforation. This particular complication should not be overlooked since it can cause a high mortality rate of 15%. Here we present a case of transanal protrusion of ventriculoperitoneal shunt after an asymptomatic bowel perforation, in an adult who has undergone surgery after a traumatic brain injury. The patient has undergone surgery and lastly the shunt was manually removed from anus. He was monitored for 3 days and eventually discharged.
MoOx/CoMo on Cu Nanowires as an Efficiently Bifunctional Electrocatalyst for Overall Water Splitting
Authors: Chai Xingchen , Yuan Cang , Gao Rui‐Ting , Wang Lei 
Published: May 2024

AbstractElectrocatalytic water splitting is a promising approach for sustainable hydrogen production. The design and development of efficient and stable bifunctional catalysts are the key to realizing hydrogen production from water splitting. Herein, we successfully synthesized bifunctional MoOx/CoMo grown on copper nanowires (Cu NWs) through an electrodeposition approach, showing excellent hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performances. The MoOx/CoMo/Cu NWs catalyst exhibited overpotentials as low as 56 mV and 211 mV to deliver a current density of 10 mA cm−2 for HER and OER in alkaline media, respectively. Moreover, the MoOx/CoMo/Cu NWs as bifunctional electrodes for overall water splitting achieved a low voltage of 1.45 and 1.62 V at 10 and 50 mA cm−2, respectively, with a stability of 10 h at 50 mA cm−2. This work provides a promising strategy for designing highly active catalysts that replace precious‐metal‐based catalysts on energy conversion.
Transition‐Metal Catalyzed Synthesis of N‐Heterocycles using Solvent‐Carbon (C1) Synthons
Authors: Govindan Karthick , Jayaram Alageswaran , Seenivasan Vijay Thavasianandam , Venkatachalam Gokulakannan , Lin Wei‐Yu 
Published: May 2024

AbstractNitrogen‐containing heterocycles represent fundamental components found in a myriad of natural compounds, pharmaceuticals, tailored bioactive substances, and agrochemicals. In recent decades, the field of synthetic chemistry has prioritized these compounds, directing considerable research endeavour toward developing efficient and concise methodologies for their synthesis. Consequently, there is a growing interest in pioneering novel synthetic approaches to fabricate these immensely coveted structural motifs. Transition metal‐catalyzed reactions leveraging solvents as carbon (C1) synthons offer notable advantages, including streamlined processes, enhanced atom economy, and environmental sustainability. This review sheds light on the recent advancements in the utilization of collective solvents such as methanol (alongside other alcohols), N,N‐dimethylethanolamine (DMEA), and triethylamine (TEA) (in conjunction with other amines), tetrahydrofuran (THF), toluene, dichloromethane (DCM), dimethyl sulfoxide (DMSO), and dimethylformamide (DMF) as C1 synthons, serving as foundational units for the synthesis of N‐heterocycles, including quinazolinone, quinazoline, quinoxaline, pyridine, and pyrimidine, among others. Various reaction conditions employing diverse transition metals, coupling partners, and solvents as carbon synthons or reagents, as reported in the literature, have been explored.
Earth Abundant Transition Metal Catalysts: New and Efficient Tools for Hydrophosphination and Oxyphosphination of Alkenes and Alkynes
Authors: Yuan Yumeng , Darcel Christophe 
Published: May 2024

AbstractHydrophosphination and oxyphosphination are two important topical reactions in order to prepare organophosphorus derivatives from unsaturated derivatives such as alkenes and alkynes in a more sustainable fashion. Noticeably, metal catalysed versions have shown great interest and efficiency. By contrast, the use of earth abundant transition metal based catalysts for such transformations is less reported, even if there is a growing interest during the last decade. This review article reports and highlights recent developments using manganese, iron, cobalt, nickel and copper based catalysts for hydro‐ and oxyphosphination, notably exhibiting the selectivity, functional group tolerance, milder conditions and catalyst design. Even if significant progresses were made, the scopes are still rather limited (mainly focused on activated olefins such as styrenes) and chemo‐ and stereo‐selectivity issues still have to be solved, notably for asymmetric transformations. Of interest, the use of visible light including blue one as activator emerged, giving promising and stimulating results at ambient conditions.
Uncovering Factors Controlling Reactivity of Metal‐TEMPO Reaction Systems in the Solid State and Solution
Authors: Budny‐Godlewski Krzysztof , Piekarski Dariusz G. , Justyniak Iwona , Leszczyński Michał K. , Nawrocki Jan , Kubas Adam , Lewiński Janusz 
Published: May 2024

AbstractNitroxides find application in various areas of chemistry, and a more in‐depth understanding of factors controlling their reactivity with metal complexes is warranted to promote further developments. Here, we report on the effect of the metal centre Lewis acidity on both the distribution of the O‐ and N‐centered spin density in 2,2,6,6‐tetramethylpiperidine‐N‐oxyl (TEMPO) and turning TEMPO from the O‐ to N‐radical mode scavenger in metal‐TEMPO systems. We use Et(Cl)Zn/TEMPO model reaction system with tuneable reactivity in the solid state and solution. Among various products, a unique Lewis acid‐base adduct of Cl2Zn with the N‐ethylated TEMPO was isolated and structurally characterised, and the so‐called solid‐state ′slow chemistry′ reaction led to a higher yield of the N‐alkylated product. The revealed structure‐activity/selectivity correlations are exceptional yet are entirely rationalised by the mechanistic underpinning supported by theoretical calculations of studied model systems. This work lays a foundation and mechanistic blueprint for future metal/nitroxide systems exploration.
Methanol Synthesis from Sustainable Feedstocks – A Quantitative Side Product Analysis
Authors: Nestler Florian , Voß Johannes , Fastabend Anna , Niemeier Tammarat , Ruland Holger , Hadrich Max J. 
Published: May 2024

AbstractMethanol synthesis from sustainable feedstocks will play an important role in the future's energy system. To enable an accurate design of crude methanol distillation systems, detailed knowledge about the amounts of side products in crude methanol is required. In this study, crude methanol samples obtained from four experimental setups covering a wide range of process conditions were analyzed for their main and side compounds. By means of a Spearman correlation analysis, the amount of carbon oxides in the reactor feed was identified as determining for the formation of side products. Trend lines describing the amount of side products were derived from the experimental data to enable studies on the downstream treatment of crude methanol.
Synthesis of fluorene‐flanked diketopyrrolopyrrole‐based semiconducting polymers with thermocleavable side chains and their application in organic field effect transistors
Authors: Singh Ravinder , Venkateswarlu Samala , Zhong YuFang , Li Yuning 
Published: May 2024

AbstractThis study introduces the first fluorene‐flanked diketopyrrolopyrrole (FDPP)‐based semiconducting polymers, named Boc‐FDPP‐CoMs (CoM = TT or BT), synthesized via copolymerization of tert‐butoxycarbonyl (t‐Boc)‐substituted FDPP as the acceptor unit with thieno[3,2‐b]thiophene (TT) or bithiophene (BT) as the donor comonomers. The incorporation of t‐Boc groups addresses challenges related to poor solubility and polymer backbone twisting associated with the FDPP building block. While Boc‐FDPP‐CoMs demonstrate solubility in common organic solvents, facilitating favourable solution‐processability for uniform film fabrication, they exhibit significant backbone twisting, leading to poor charge transport properties. Post‐deposition thermal annealing at a mild temperature as low as 170°C conveniently removes t‐Boc groups. The resulting t‐Boc‐free copolymers, NH‐FDPP‐TT and NH‐FDPP‐BT, exhibit hole mobilities up to 5.0 × 10−3 and 2.2 × 10−3 cm2 V−1 s−1 in organic field effect transistors (OFETs), respectively, representing a substantial increase compared to their counterparts with t‐Boc groups. This study underscores a meticulously designed strategy for achieving solution solubility and backbone coplanarity through side‐chain engineering for FDPP and potentially other sterically demanding building blocks to construct high‐performance semiconducting polymers for OFETs and other applications.
Nitrogen‐containing microporous carbon with specific morphology for non‐metallic catalytic NO oxidation at room temperature: The effect of morphology and nitrogen doping
Authors: Guan Jie , Zhu Yujie , Wang Jitong , Cheng Xiaomin , Ma Cheng , Ling Licheng , Qiao Wenming 
Published: May 2024

AbstractThe optimization of the gas diffusion path and surface coordination environment through morphology control can improve the intrinsic activity of the catalyst in NO oxidation reactions. Microporous nanosheets, nanowires, and spheres of carbon were constructed using resorcinol and formaldehyde as carbon sources, melamine as nitrogen source, and graphene oxide or carbon nanowires as structure‐directing agents to reveal the effects of morphology and nitrogen‐doping on NO oxidation activity at room temperature. With the increase of coating thickness, the ultramicroporous structure becomes pronounced and the nitrogen content increases, which contribute to the improvement of steady‐state NO conversion. The 2D microporous nanosheets (TDC‐200) with sheet structure shows prominent diffusion and adsorption capability than 1D nanowires and sphere, which shortens the gas diffusion path and enhances the efficient utilization of ultramicropores, thereby presenting the highest NO oxidation activity of 78.4% at room temperature. The results of DFT calculations further demonstrate that doping of nitrogen atoms could significantly reduce the (2NO + O2)ads energy barrier and accelerate the reaction. This study provides a deeper understanding of the NO oxidation on non‐metallic catalyst.
A comparative analysis of paxillin and Hic‐5 proximity interactomes
Authors: Brock Katia , Alpha Kyle M. , Brennan Grant , De Jong Ebbing P. , Luke Elizabeth , Turner Christopher E. 
Published: May 2024

AbstractFocal adhesions serve as structural and signaling hubs, facilitating bidirectional communication at the cell–extracellular matrix interface. Paxillin and the related Hic‐5 (TGFβ1i1) are adaptor/scaffold proteins that recruit numerous structural and regulatory proteins to focal adhesions, where they perform both overlapping and discrete functions. In this study, paxillin and Hic‐5 were expressed in U2OS osteosarcoma cells as biotin ligase (BioID2) fusion proteins and used as bait proteins for proximity‐dependent biotinylation in order to directly compare their respective interactomes. The fusion proteins localized to both focal adhesions and the centrosome, resulting in biotinylation of components of each of these structures. Biotinylated proteins were purified and analyzed by mass spectrometry. The list of proximity interactors for paxillin and Hic‐5 comprised numerous shared core focal adhesion proteins that likely contribute to their similar functions in cell adhesion and migration, as well as proteins unique to paxillin and Hic‐5 that have been previously localized to focal adhesions, the centrosome, or the nucleus. Western blotting confirmed biotinylation and enrichment of FAK and vinculin, known interactors of Hic‐5 and paxillin, as well as several potentially unique proximity interactors of Hic‐5 and paxillin, including septin 7 and ponsin, respectively. Further investigation into the functional relationship between the unique interactors and Hic‐5 or paxillin may yield novel insights into their distinct roles in cell migration.
Estimating the impact of enhanced care at minority‐serving hospitals on disparities in the treatment of breast, prostate, lung, and colon cancers
Authors: Beatrici Edoardo , Paciotti Marco , Nguyen David‐Dan , Filipas Dejan K. , Qian Zhiyu , Lughezzani Giovanni , Daniels Danesha , Lipsitz Stuart R. , Kibel Adam S. , Cole Alexander P. , Trinh Quoc‐Dien 
Published: May 2024

AbstractBackgroundThe objective of this study was to quantify disparities in cancer treatment delivery between minority‐serving hospitals (MSHs) and non‐MSHs for breast, prostate, nonsmall cell lung, and colon cancers from 2010 to 2019 and to estimate the impact of improving care at MSHs on national disparities.MethodsData from the National Cancer Database (2010–2019) identified patients who were eligible for definitive treatments for the specified cancers. Hospitals in the top decile by minority patient proportion were classified as MSHs. Multivariable logistic regression adjusted for patient and hospital characteristics compared the odds of receiving definitive treatment at MSHs versus non‐MSHs. A simulation was used to estimate the increase in patients receiving definitive treatment if MSH care matched the levels of non‐MSH care.ResultsOf 2,927,191 patients from 1330 hospitals, 9.3% were treated at MSHs. MSHs had significant lower odds of delivering definitive therapy across all cancer types (adjusted odds ratio: breast cancer, 0.83; prostate cancer, 0.69; nonsmall cell lung cancer, 0.73; colon cancer, 0.81). No site of care–race interaction was significant for any of the cancers (p > .05). Equalizing treatment rates at MSHs could result in 5719 additional patients receiving definitive treatment over 10 years.ConclusionsThe current findings underscore systemic disparities in definitive cancer treatment delivery between MSHs and non‐MSHs for breast, prostate, nonsmall cell lung, and colon cancers. Although targeted improvements at MSHs represent a critical step toward equity, this study highlights the need for integrated, system‐wide efforts to address the multifaceted nature of racial and ethnic health disparities. Enhancing care at MSHs could serve as a pivotal strategy in a broader initiative to achieve health care equity for all.
Malignant melanoma in a 12‐year‐old boy 17 months after completing hepatoblastoma treatment
Authors: Kanezawa Koji , Yagasaki Hiroshi , Arakawa Ayumu , Hoshi Reina , Uehara Shuichiro , Morioka Ichiro 
Published: May 2024

AbstractBackgroundMelanoma is rare as a secondary malignant neoplasm among childhood cancer survivors.CaseWe report a case of a 12‐year‐old boy who developed malignant melanoma with systemic metastases 17 months after completing treatment for hepatoblastoma. The diagnosis was made unexpectedly based on a bone marrow examination. The patient did not respond to immune checkpoint inhibitor therapy and died 6 weeks after being diagnosed with melanoma. Whole‐exome sequencing to examine 103 genes associated with cancer predisposition did not identify any germ‐line variants.ConclusionThis case study provides a unique example of melanoma in a childhood cancer survivor following hepatoblastoma treatment but does not identify any candidate variant to link hepatoblastoma and melanoma.
Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes
Authors: Dehhaghi Yasaman , Kiakojouri Ali , Frank Irmgard , Nadimi Ebrahim 
Published: May 2024

AbstractNanoporous membranes promise energy‐efficient water desalination. Hexagonal boron nitride (h‐BN), like graphene, exhibits outstanding physical and chemical properties, making it a promising candidate for water treatment. We employed Car‐Parrinello molecular dynamics simulations to establish an accurate modeling of Na+ and Cl− permeation through hydrogen passivated nanopores in graphene and h‐BN membranes. We demonstrate that ion separation works well for the h‐BN system by imposing a barrier of 0.13 eV and 0.24 eV for Na+ and Cl− permeation, respectively. In contrast, for permeation of the graphene nanopore, the Cl− ion faces a minimum of energy of 0.68 eV in the nanopore plane and is prone toward blockade of the nanopore, while the Na+ ion experiences a slight minimum of 0.03 eV. Overall, the desalination performance of h‐BN nanopores surpasses that of their graphene counterparts.
New Insights in the Computational pKb Determination of Primary Amines and Anilines
Authors: Pezzola Silvia , Venanzi Mariano , Conte Valeria , Sabuzi Federica , Galloni Pierluca 
Published: May 2024

AbstractExtensive research has already provided reliable methods for the in silico prediction of pKa, while a trustworthy strategy for pKb determination is still being sought. Indeed, the approaches previously exploited for computing pKa have shown their weakness in predicting pKb. In the light of the exceptional reliability demonstrated in the pKa calculation of a wide panel of organic acids, in this work, we exploited our “easy to use methodology”, based on the direct approach, to predict the pKb of primary amines. Herein, CAM‐B3LYP was compared to WB97XD and B3PW91, exploring the solvation model based on density (SMD) and the polarizable continuum model (PCM), in the presence of two explicit water molecules. Noteworthy, CAM‐B3LYP and WB97XD returned completely different solvent accessible surfaces (SAS) and electron potential maps (EPM) for the bases and the conjugated acids, independently from the nature of the substituents. Once again, CAM‐B3LYP/SMD/2H2O method confirmed its remarkable reliability, leading to a minimum average error (MAE) lower than 0.3. This outstanding result strengthens the trustworthiness of our method, already successfully applied to predict the pKa of different substituted phenols and carboxylic acids. Thus, our “easy‐to‐use” process can predict also the pKb of primary ammines and anilines, always ensuring consistent outputs.
Effect of Fluorination on the Properties of 9,9′‐(Sulfonylbis(4,1‐Phenylene))bis(3‐(tert‐Butyl)‐6‐Fluoro‐9H‐Carbazole) as Host for Thermally Activated Delayed Fluorescent Emitters
Authors: Jamel Nor Shafiq Mohd , Lin Woon Kai , AbdWahab Muhammad Kumayl , Volyniuk Dmytro , Gužauskas Matas , Supangat Azzuliani , Nordin Nurdiana , Nasir FH Abd , Ghasemi Melika , Bareikaite Kamile , Monkman Andrew , Seng Tan Yee , Hing Goh Bey , Grazulevicius Juozas Vidas , Ariffin Azhar 
Published: May 2024

AbstractTo enhance organic light emitting diode (OLED) performance, host materials with high triplet energies are crucial for confining excitons, despite increasing driving voltages due to the singlet‐triplet energy gap. We synthesized sulfonylbis(4,1‐phenylene)bis(3,6‐disubstituted‐9H‐carbazole) derivatives as donor‐acceptor‐donor host materials, namely compounds 3, 5 and 7, with varying fluorination levels. These compounds show moderate singlet‐triplet energy splitting and molecular dipole moments, allowing for fine‐tuning of hole‐transport mobilities, deeper frontier orbital energies, and a red shift in singlet emission while maintaining high triplet energy levels. These adjustments impact a range of physical, electronic and optical properties. The materials exhibit exceptional thermal stability, with decomposition starting above 400 °C and glass transition temperatures over 130 °C. Used with the green TADF emitter DACT‐II, these hosts enable reverse intersystem crossing rates between 7.43×104 s−1 and 1.77×105 s−1. While OLEDs using mCP as a reference host achieve a maximum quantum efficiency of 18.5 %, those with host 5 show lower efficiency roll‐off, leading to higher external quantum efficiency at brightness levels above 2000 cd/m2 without colour shift. The reduced roll‐off in devices with host 5 compared to mCP is attributed to effective Förster and Dexter energy transfers to DACT‐II at high currents, enhancing light emission pathways.