bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ X‐ray Absorption Spectroscopy of Metal/Nitrogen‐doped Carbons in Oxygen Electrocatalysis
Authors: Wu Bin , Sun Tianxiao , You Ya , Meng Haibing , Morales Dulce M. , Lounasvuori Mailis , Beheshti Askari Abbas , Jiang Li , Zeng Feng , Hu Baoshan , Zhang Xiangzhi , Tai Renzhong , Xu Zhichuan J. , Petit Tristan , Mai Liqiang 
Published: February 2023

AbstractMetal/nitrogen‐doped carbons (M−N−C) are promising candidates as oxygen electrocatalysts due to their low cost, tunable catalytic activity and selectivity, and well‐dispersed morphologies. To improve the electrocatalytic performance of such systems, it is critical to gain a detailed understanding of their structure and properties through advanced characterization. In situ X‐ray absorption spectroscopy (XAS) serves as a powerful tool to probe both the active sites and structural evolution of catalytic materials under reaction conditions. In this review, we firstly provide an overview of the fundamental concepts of XAS and then comprehensively review the setup and application of in situ XAS, introducing electrochemical XAS cells, experimental methods, as well as primary functions on catalytic applications. The active sites and the structural evolution of M−N−C catalysts caused by the interplay with electric fields, electrolytes and reactants/intermediates during the oxygen evolution reaction and the oxygen reduction reaction are subsequently discussed in detail. Finally, major challenges and future opportunities in this exciting field are highlighted.
Towards sustainable rubber compounds: The use of waste raw materials
Authors: Bragaglia Mario , Paleari Lorenzo , Berrocal José Augusto , Lamastra Francesca R. , Nanni Francesca 
Published: February 2023

AbstractThis article aims to realize a sustainable rubber compound made in large percentage of secondary raw materials. Waste chewing gum (WCG) has been studied as source of rubber and added in 25% by weight in an ethylene propylene diene monomer based compound in view of a circular economy and eco‐friendly rubber manufacturing. Biobased CaCO3 extracted from waste eggshells was used as extender agent and waste cooking oil from potato chips frying was employed as processing aid. The rubber extracted from WCG resulted to be polyisobutylene (PIB) whereas the main component of the WCG is polyvinyl acetate (PVAc). The addition of the WCG modifies the rheological properties of the rubber compound leading to a better filler–filler and filler–matrix interaction. On the other hand, the presence of both PVAc and PIB leads to lower mechanical properties (max torque 6 vs 10 dNm in curing test) but also higher elongation at break (600% vs 500%). The WCG also increases the self‐adhesion of the rubber and decreases the glass transition temperature allowing for the use of these compounds at lower temperatures thanks to its good tack behavior.
Improving the Coke Resistance of Ni‐Ceria Catalysts for Partial Oxidation of Methane to Syngas: Experimental and Computational Study
Authors: Khurana Deepak , Dahiya Neetika , Negi Smriti , Bordoloi Ankur , Ali Haider M. , Bal Rajaram , Khan Tuhin Suvra 
Published: February 2023

AbstractThe synthesis of syngas (H2 : CO=2) via catalytic partial oxidation of methane (CPOM) is studied over noble metal doped Ni−CeO2 bimetallic catalysts for CPOM reaction. The catalysts were synthesized via a controlled deposition approach and were characterized using XRD, BET‐surface area analysis, H2‐TPR, TEM, Raman and TGA analysis. The catalysts were experimentally and computationally studied for their activity, selectivity, and long‐term stability. Although the pure 5Ni/CeO2 catalyst showed high initial activity (∼90%) of CH4 conversion, it rapidly deactivates around 20% of its initial activity within 140 hours of TOS. Doping of Ni/CeO2 catalyst with noble metal was found to be coke resistant with the best‐performing Ni−Pt/CeO2 catalyst showed ∼95% methane conversion with >90% selectivity at a temperature of 800 °C, having exceptional stability for about 300 hours of time‐on‐stream (TOS). DFT studies were performed to calculate the activation barrier for the C−H activation of methane over the Ni, Ni3Pt, Ni3Pd, and Ni3Ru (111) surfaces showed nearly equal activation energy over all the studied surfaces. DFT studies showed high coke formation tendency of the pure Ni (111) having a very small C−C coupling activation barrier (14.2 kJ/mol). In contrast, the Ni3Pt, Ni3Pd, and Ni3Ru (111) surfaces show appreciably higher C−C coupling activation barrier (∼70 kJ/mol) and hence are more resistant against coke formation as observed in the experiments. The combined experimental and DFT study showed Ni−Pt/CeO2 as a promising CPOM catalyst for producing syngas with high conversion, selectivity and long‐term stability suited for future industrial applications.
Spectroscopic analysis of recombinant human growth hormone in the presence of sucrose and trehalose
Authors: Kamrani Solmaz , Yaghmaei Parichehreh , Nikkhah Maryam , Hosseinkhani Saman 
Published: February 2023

AbstractRecombinant human growth hormone (rhGH) is a therapeutic protein, associated with various human diseases, such as growth hormone deficiency. One of the interesting issues in the formulation of therapeutic proteins is excipients like disaccharides. In the current study, we try to compare the effect of sucrose and trehalose on the structure of rhGH in the liquid state at 25°C and 55°C. We use spectroscopic techniques including intrinsic and extrinsic fluorescence, Fourier‐transform infrared (FTIR), circular dichroism (CD), dynamic light scattering (DLS), and time‐resolved fluorescence. FTIR shows a slight change in the secondary structure of rhGH in presence of the sugars as sucrose is more effective than trehalose. Fluorescence investigations also confirm the enhancements of folding of rhGH and fluorescein isothiocyanate (FITC)‐rhGH in presence of sucrose (1.5‐fold more than trehalose). Also, we studied sucrose's effect on the rete of aggregation of rhGH using spectroscopy of Congo red, and fluorescence imaging of thioflavin T (ThT)‐treated samples. It can be suggested that sucrose facilitates the amyloid formation of rhGH during 20 days of incubation at 37°C. This study will help to understand the growth hormone structural behavior in the liquid state in the presence of sucrose and trehalose in vitro.
Robotic ureteral reconstruction for recurrent strictures after prior failed management
Authors: Lee Matthew , Lee Ziho , Houston Nicklaus , Strauss David , Lee Randall , Asghar Aeen M. , Corse Tanner , Zhao Lee C. , Stifelman Michael D. , Eun Daniel D. ,   Collaborative of Reconstructive Robotic Ureteral Surgery (CORRUS)
Published: February 2023

AbstractObjectivesTo describe our multi‐institutional experience with robotic ureteral reconstruction (RUR) in patients who failed prior endoscopic and/or surgical management.Materials and MethodsWe retrospectively reviewed our Collaborative of Reconstructive Robotic Ureteral Surgery (CORRUS) database for all consecutive patients who underwent RUR between 05/2012 and 01/2020 for a recurrent ureteral stricture after having undergone prior failed endoscopic and/or surgical repair. Post‐operatively, patients were assessed for surgical success, defined as the absence of flank pain and obstruction on imaging.ResultsOverall, 105 patients met inclusion criteria. Median stricture length was 2 (IQR 1–3) centimetres. Strictures were located at the ureteropelvic junction (UPJ) (41.0%), proximal (14.3%), middle (9.5%) or distal (35.2%) ureter. There were nine (8.6%) radiation‐induced strictures. Prior failed management included endoscopic intervention (49.5%), surgical repair (25.7%) or both (24.8%). For repair of UPJ and proximal strictures, ureteroureterostomy (3.4%), ureterocalicostomy (5.2%), pyeloplasty (53.5%) or buccal mucosa graft ureteroplasty (37.9%) was utilized; for repair of middle strictures, ureteroureterostomy (20.0%) or buccal mucosa graft ureteroplasty (80.0%) was utilized; for repair of distal strictures, ureteroureterostomy (8.1%), side‐to‐side reimplant (18.9%), end‐to‐end reimplant (70.3%) or appendiceal bypass (2.7%) was utilized. Major (Clavien >2) post‐operative complications occurred in two (1.9%) patients. At a median follow‐up of 15.1 (IQR 5.0–30.4) months, 94 (89.5%) cases were surgically successful.ConclusionsRUR may be performed with good intermediate‐term outcomes for patients with recurrent strictures after prior failed endoscopic and/or surgical management.
Revisiting the testicular toxicity of cyanide: Assessment of the new and existing literature
Authors: Williams Amy Lavin , DeSesso John M. 
Published: February 2023

AbstractBackgroundBased on new testing, we re‐assess U.S. EPA and California OEHHA conclusions regarding male reproductive toxicity associated with cyanide exposure.MethodsLiterature identified by ATSDR, ECETOC and EPA was complemented by studies conducted after 2006. Relevant studies were scored for quality using ToxRTool.ResultsEleven pertinent animal investigations were identified; five with quality scores of 1 were evaluated in‐depth. The NTP 13‐week drinking water study of NaCN in rats reported significantly decreased water intakes and reduced cauda epididymal weights; altered sperm parameters occurred in high‐dose rats. When compared to contemporaneous historical control data (HCD), the mean cauda epididymal weights of cyanide‐treated rats in the NTP study were within HCD, whereas control weights exceeded HCD. A new 13‐week drinking water study used the same design with additional features (individually caged rats, “paired water” controls, thyroid hormone determinations, post‐treatment recovery) and found a smaller decrease in water consumption (11% versus 18% at 300 ppm) and no treatment‐related changes in male reproductive measures. Although thyroid/parathyroid weights were increased at 300 ppm, histopathology and thyroid hormone levels were unaffected. The remaining high‐quality cyanide studies reported no adverse findings in male reproductive organs. Unconfounded sperm measures were not adversely affected in any quality 1 studies.ConclusionsChanges in the male reproductive system reported after cyanide exposure in the NTP study were not reproducible, unlikely to be treatment‐related, and should not be used as the sole basis for human health assessments.
Newly synthesized Fe‐doped CDs for colorimetric and fluorometric nanozyme‐based levodopa sensing
Authors: Ahmad Haval Aziz , Hassan Rebwar Omar 
Published: February 2023

AbstractA simple single‐pot hydrothermal method was used to fabricate a Fe, N, and S co‐doped carbon dots (Fe‐CDs) nanozyme using ferric chloride and sunset yellow as precursors. The fabricated Fe‐CDs exhibited intense green fluorescence at 460 nm with excitation‐independent properties and a high quantum yield of 40.23%. This nanozyme mimics peroxidase by catalyzing the oxidation of tetramethylbenzidine (TMB) by H2O2 to yield a blue‐coloured TMBox product at 652 nm. Dual detection methods were established for determining levodopa (l‐dopa) by taking advantage of the high nanozyme activity and the distinct fluorescence aspect. Both determination methods are based on the oxidation of l‐dopa by H2O2 in the presence of Fe‐CDs and fading of the blue colour of the TMBox. The colorimetric method monitors the amount of colour fading of TMBox. In the fluorometric method, the formed blue TMBox absorbs the emission light of the Fe‐CDs; when l‐dopa is present, this effect decreases and the intensity of the emission light increases. The nanozyme‐based detection procedures exhibit good linearity in the ranges 2.17 × 10−3 to 34.78 × 10−3 mM [limit of detection (LOD) = 0.84 × 10−3 mM] and 0.85 × 103 to 16.95 × 103 nM (LOD = 0.102 × 103 nM) for colorimetric and fluorometric methods, respectively.
A systematic evaluation of quenching and extraction procedures for quantitative metabolome profiling of HeLa carcinoma cell under 2D and 3D cell culture conditions
Authors: Wang Tong , Wang Xueting , Zhuang Yingping , Wang Guan 
Published: February 2023

AbstractMetabolic reprogramming has been coined as a hallmark of cancer, accompanied by which the alterations in metabolite levels have profound effects on gene expression, cellular differentiation, and the tumor environment. Yet a systematic evaluation of quenching and extraction procedures for quantitative metabolome profiling of tumor cells is currently lacking. To achieve this, this study is aimed at establishing an unbiased and leakage‐free metabolome preparation protocol for HeLa carcinoma cell. We evaluated 12 combinations of quenching and extraction methods from three quenchers (liquid nitrogen, −40°C 50% methanol, 0.5°C normal saline) and four extractants (−80°C 80% methanol, 0.5°C methanol/chloroform/water [1:1:1 v/v/v], 0.5°C 50% acetonitrile, 75°C 70% ethanol) for global metabolite profiling of adherent HeLa carcinoma cells. Based on the isotope dilution mass spectrometry (IDMS) method, gas/liquid chromatography in tandem with mass spectrometry was used to quantitatively determine 43 metabolites including sugar phosphates, organic acids, amino acids (AAs), adenosine nucleotides, and coenzymes involved in central carbon metabolism. The results showed that the total amount of the intracellular metabolites in cell extracts obtained using different sample preparation procedures with the IDMS method ranged from 21.51 to 295.33 nmol per million cells. Among 12 combinations, cells that washed twice with phosphate buffered saline (PBS), quenched with liquid nitrogen, and then extracted with 50% acetonitrile were found to be the most optimal method to acquire intracellular metabolites with high efficiency of metabolic arrest and minimal loss during sample preparation. In addition, the same conclusion was drawn as these 12 combinations were applied to obtain quantitative metabolome data from three‐dimensional (3D) tumor spheroids. Furthermore, a case study was carried out to evaluate the effect of doxorubicin (DOX) on both adherent cells and 3D tumor spheroids using quantitative metabolite profiling. Pathway enrichment analysis using targeted metabolomics data showed that DOX exposure would significantly affect AA metabolism‐related pathways, which might be related to the mitigation of redox stress. Strikingly, our data suggested that compared to two‐dimensional (2D) cells the increased intracellular glutamine level in 3D cells benefited replenishing the tricarboxylic acid (TCA) cycle when the glycolysis was limited after dosing with DOX. Taken together, this study provides a well‐established quenching and extraction protocol for quantitative metabolome profiling of HeLa carcinoma cell under 2D and 3D cell culture conditions. Based on this, quantitative time‐resolved metabolite data can serve to the generation of hypotheses on metabolic reprogramming to reveal its important role in tumor development and treatment.
Chalcogen Bonding Catalysis of the Cloke‐Wilson Rearrangement
Authors: Yuan Xinglong , Bao Lintao , Zhao Zhiguo , Wang Yao 
Published: February 2023

AbstractThe Cloke‐Wilson rearrangement is an important method to construct heterocycles which was conventionally facilitated by strong Lewis acids, Brønsted acids and Lewis bases. A weak interaction catalysis approach to the Cloke‐Wilson rearrangement remains a challenging topic and yet no example is reported. Herein, a chalcogen bonding catalysis method to achieve the Cloke‐Wilson rearrangement is described that involves activation of carbonyl cyclopropanes by double Se⋅⋅⋅O interactions. This chalcogen bonding catalysis approach afforded a wide range of dihydrofurans with good yields, thus establishing an alternative strategy to catalyze the Cloke‐Wilson rearrangement.
Sm and S Co‐doping to Construct Homo‐hetero Cu Catalysts for Synergistic Enhancing CO2 Electroreduction†
Authors: Liu Jiyuan , Li Pengsong , Bi Jiahui , Wang Yong , Zhu Qinggong , Sun Xiaofu , Zhang Jianling , Liu Zhimin , Han Buxing 
Published: February 2023

Comprehensive SummaryCopper (Cu) is recognized as one of the most efficient metal catalysts that can perform the electrocatalytic CO2 reduction reaction (CO2RR) and its surface oxidation state determines the reaction pathway. The Cuδ+ (0 < δ < 1) species, are well known active sites in CO2RR to produce hydrocarbons and oxygenates. However, Cuδ+ active sites are difficult to control, and it is very easy to be reduced to Cu0 under CO2RR operating conditions. Herein, we report a homo‐hetero doping strategy to construct an efficient samarium (Sm) and sulfur (S) co‐doping catalyst (Smx‐CuSy) for CO2RR to formic acid (HCOOH). At optimum conditions, Smx‐CuSy delivered a high HCOOH Faradaic efficiency (FE) of 92.1% at the current density of 300 mA·cm–2 using 1 mol/L KOH aqueous solution as electrolyte, and the reduction potential was as low as –0.52 V vs. reversible hydrogen electrode (RHE). The co‐doping of Sm and S resulted in excellent CO2RR performance owing to the synergistic effect of the homo‐hetero structure. The homo‐doping of S could effectively adjust the electronic structure of Cu in favor of the formation of abundant Cuδ+ species. The existence of hetero‐Sm species could not only stabilize the Cuδ+ sites, but also increase the concentration of H ions to form a favorable catalytic environment for HCOOH generation.
Comparison of the safety and efficiency of temporary cardiac pacing methods during left bundle branch pacemaker implantation: Femoral vein pacing versus atrial spiral pacing with electrodes placed at the ventricle
Authors: Li Zhenwei , Xu Qingqing , Huangfu Ning , Sun Zewei , Su Jia 
Published: February 2023

AbstractBackgroundLeft bundle branch pacemakers (LBBPs) can better maintain ventricular electrical synchronization than traditional right ventricular pacing (RVP). Temporary cardiac pacing (TCP) is needed to ensure the safety of the operation in patients undergoing LBBP. Currently, there are two methods of installing TCP in conventional permanent pacemaker implantation. Hypothesis: To evaluate the safety and efficiency of replacing femoral vein pacing with atrial spiral pacing in the right ventricle for temporary cardiac pacing (TCP) during left bundle branch pacemaker (LBBP) implantation.MethodA total of 179 patients who underwent TCP during LBBP were selected for retrospective analysis from April 2019 to 2021 and divided into two groups: the atrial spiral electrode group (n = 76) and the femoral vein electrode group (n = 103). The following were observed: operation time; radiation dose; radiation time; operation expenses; hospitalization time; pacemaker parameters immediately after the operation and at 1 week, 1 month, 3 months, and 6 months after the operation; operation complications and femoral vein puncture point complications were observed in the two groups.ResultsCompared to the femoral vein electrode group, the atrial electrode group had significantly lower operation times ([116.86 ± 24.63] versus [128.94 ± 25.27] min, p < 0.05), radiation doses ([805.07 ± 132.94] versus [846.42 ± 87.37] mgy, p < 0.05), and decreased risk of a displaced or dislodged temporary pacing electrode during the operation ([0.00%] versus [4.85%], p < 0.05). The atrial electrode group did not have significant operation costs or material costs associated with femoral vein temporary pacing electrode implantation. In addition, the atrial electrode group did not have an increased risk of pacemaker‐related infections, and the parameters of the pacemaker were unaffected. However, some puncture point complications appeared in the femoral vein electrode group (8 cases of local subcutaneous hematoma, 3 cases of pseudoaneurysms, 3 cases of arteriovenous fistula).ConclusionThe replacement of the femoral vein pacing electrode with an atrial spiral pacing electrode in the right ventricle for TCP during LBBP implantation was safe and effective.
A cyber‐physical management system for medium‐scale solar‐powered data centers
Authors: Dikaiakos Marios D. , Chatzigeorgiou Nikolas G. , Tryfonos Athanasios , Andreou Andreas , Loulloudes Nicholas , Pallis George , Georgiou George E. 
Published: February 2023

SummaryThe effort to reduce the environmental impact and carbon footprint of data‐center operations has led to the emergence of “green” data centers, which are designed to reduce energy consumption and to increase their use of Renewable Energy Sources (RES). Despite the advances demonstrated by hyper‐scale facilities in energy efficiency and the use of green energy, small and medium‐scale data centers, which contribute to over 50% of the total electricity consumption and carbon emissions of the sector, face significant challenges in the adoption and exploitation of RES. In this article, we present the steps taken to transform a medium‐scale, academic data center into a “green” one that uses solar power. In particular, we describe the design and implementation of: (i) a collocated photovoltaic facility and (ii) a cyber‐physical system comprising IoT sensor devices, a microservices platform, and a visualization and analytics dashboard that supports the configuration and monitoring of the infrastructure. Using data collected from the platform and dashboard, we show the environmental and financial advantages derived from this transformation, and the potential that arises from the availability of integrated operational data.
Dynamic suicide topic modelling: Deriving population‐specific, psychosocial and time‐sensitive suicide risk variables from Electronic Health Record psychotherapy notes
Authors: Levis Maxwell , Levy Joshua , Dufort Vincent , Russ Carey J. , Shiner Brian 
Published: February 2023

AbstractIn the machine learning subfield of natural language processing, a topic model is a type of unsupervised method that is used to uncover abstract topics within a corpus of text. Dynamic topic modelling (DTM) is used for capturing change in these topics over time. The study deploys DTM on corpus of electronic health record psychotherapy notes. This retrospective study examines whether DTM helps distinguish closely matched patients that did and did not die by suicide. Cohort consists of United States Department of Veterans Affairs (VA) patients diagnosed with Posttraumatic Stress Disorder (PTSD) between 2004 and 2013. Each case (those who died by suicide during the year following diagnosis) was matched with five controls (those who remained alive) that shared psychotherapists and had similar suicide risk based on VA's suicide prediction algorithm. Cohort was restricted to patients who received psychotherapy for 9+ months after initial PTSD diagnoses (cases = 77; controls = 362). For cases, psychotherapy notes from diagnosis until death were examined. For controls, psychotherapy notes from diagnosis until matched case's death date were examined. A Python‐based DTM algorithm was utilized. Derived topics identified population‐specific themes, including PTSD, psychotherapy, medication, communication and relationships. Control topics changed significantly more over time than case topics. Topic differences highlighted engagement, expressivity and therapeutic alliance. This study strengthens groundwork for deriving population‐specific, psychosocial and time‐sensitive suicide risk variables.