bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bound States In and Out of the Continuum in Nanoribbons with Wider Sections: A Novel Algorithm based on the Recursive S‐Matrix Method
Authors: Díaz Ricardo Y. , Ramírez Carlos 
Published: July 2022

AbstractA novel method to find bound states in general tight‐binding Hamiltonians with semi‐infinite leads is reported. The method is based on the recursive S‐matrix method, which allows to compute iteratively the S‐matrix of a general system in terms of the S‐matrices of its subsystems. The condition that the S‐matrices of the subsystems must accomplish to have a bound state at energy E is established. Energies that accomplish this relation, can be determined with high accuracy and efficiency by using the Taylor series of the S‐matrices. The method allows to find bound states energies and wavefunctions in (BIC) and out (BOC) of the continuum, including degenerate ones. Bound states in nanoribbons with wider sections are computed for square and honeycomb lattices. Using this method, the bound states in a graphene nanoribbon with two quantum‐dot‐like structures which are reported to have BICs by using another technique are verified. However, this new analysis reveals that such BICs are double, one with even and the other with odd wavefunction, with slightly separated energies. In this way, the new method can be used to efficiently find new BICs and to improve precision in previously reported ones.
Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes
Authors: Xing Baiying , Xu Houchao , Li Annan , Lou Tingting , Xu Meng , Wang Kaibiao , Xu Zhengren , Dickschat Jeroen S. , Yang Donghui , Ma Ming 
Published: July 2022

AbstractThe crystal structures of cattleyene synthase (apo‐CyS), and CyS complexed with geranylgeranyl pyrophosphate (GGPP) were solved. The CySC59A variant exhibited an increased production of cattleyene and other diterpenes with diverse skeletons. Its structure showed a widened active site cavity explaining the relaxed selectivity. Isotopic labeling experiments revealed a remarkable cyclization mechanism involving several skeletal rearrangements for one of the novel diterpenes.
In situ synthesis of Cu‐doped ZIF‐8 for efficient photocatalytic water splitting
Authors: Varangane Sagar , Vennapoosa Chandra Shobha , Tiwari Amritanjali , Nataraj Sanna Kotrappanavar , Yendrapati Taraka Prabhu , Pal Ujjwal 
Published: July 2022

Metal–organic frameworks (MOFs) reached a new level of research in photocatalysis by their virtue of tunable structure, modifiable pores, and a large surface area. Herein, we employed a simple metal ion exchange method to change ZIF‐8 from UV light to visible light absorption photocatalyst. In this work, Cu2+ ions are integrated within the ZIF‐8 framework to synthesize Cu‐doped ZIF‐8 photocatalysts and well characterized by using both the spectroscopic and electrochemical studies. The Cu@ZIF‐8 (CDZ‐20) photocatalyst shows enhanced light‐harvesting ability and remarkable hydrogen generation rate of 13.9 mmolg−1 h−1 with an apparent quantum efficiency (AQE) of 9.08%, which is 17 times higher than that of pristine ZIF‐8 photocatalyst. The higher photocurrent density of 34 μA/cm2 in CDZ‐20 further reinforced the superiority over the ZIF‐8 (1 μA/cm2). This work paves the way to engineer robust copper doped ZIFs photocatalyst under mild synthesis approach for efficient H2 evolution.
Assessing the Immune Cell Subset and Genetic Mutations in Patients With Palindromic Rheumatism Seronegative for Rheumatoid Factor and Anti–Cyclic Citrullinated Peptide
Authors: Yang Chin‐An , Li Ju‐Pi , Lai Yi‐Hua , Huang Ya‐Ling , Lin Chien‐Yu , Lan Joung‐Liang 
Published: July 2022

ObjectiveThe etiology underlying cases of palindromic rheumatism (PR) not associated with other rheumatic diseases in patients who are seronegative for rheumatoid factor and anti–cyclic citrullinated peptide (seronegative PR) is unclear. We aimed to investigate the immune cells and genes involved.MethodsThis was a single‐center comparative study of 48 patients with seronegative PR and 48 healthy controls. Mass cytometry and RNA sequencing were used to identify distinct immune cell subsets in blood. Among the 48 seronegative PR patients, plasma samples from 40 patients were evaluated by enzyme‐linked immunosorbent assay for cytokine levels, and peripheral blood samples from 25 patients were evaluated by flow cytometry for mononuclear cell subsets. Plasma samples from 21 patients were evaluated by real‐time polymerase chain reaction for differential gene and protein expression, and samples from 3 patients were analyzed with whole‐exome sequencing for gene mutations.ResultsImmunophenotyping revealed a markedly increased frequency of CD14+CD11b+CD36+ and CD4+CD25–CD69+ cells in seronegative PR patients with active flares compared with healthy controls (P < 0.0001 for both cell subset comparisons). Gene enrichment analyses of RNA‐sequencing data from sorted CD14+CD11b+CD36+ and CD4+CD25–CD69+ cells showed involvement of the inflammatory/stress response, phagocytosis, and regulation of apoptosis functional pathways. Up‐regulated expression of CXCL16 and IL10RA was observed in monocytes from PR patients. Up‐regulation of PFKFB3, DDIT4, and TGFB1, and down‐regulation of PDIA6 were found in monocytes and lymphocytes from PR patients with active flares and PR patients in intercritical periods. Plasma levels of S100A8/A9 and interleukin‐1β were elevated in PR patients. Whole‐exome sequencing revealed novel polygenic mutations in HACL1, KDM5A, RASAL1, HAVCR2, PRDM9, MBOAT4, and JRKL.ConclusionIn seronegative PR patients, we identified a distinct CD14+CD11b+CD36+ cell subset that can induce an inflammatory response under stress and exert antiinflammatory effects after phagocytosis of apoptotic cells, and a CD4+CD25–CD69+ T cell subset with pro‐ and antiinflammatory properties. Individuals with genetic mutations involving epigenetic modification, potentiation and resolution of stress‐induced inflammation/apoptosis, and a dysregulated endoplasmic reticulum stress response could be predisposed to seronegative PR.
Biogenic and facile synthesis of selenium nanoparticles using Vaccinium arctostaphylos L. fruit extract and anticancer activity against in vitro model of breast cancer
Authors: Gharbavi Mahmoud , Mousavi Mousa , Pour‐Karim Mahsa , Tavakolizadeh Mahdi , Sharafi Ali 
Published: July 2022

AbstractBiogenic synthesis of selenium nanoparticles (SeNPs) using plant extracts has emerged as a promising alternative approach to traditional chemical synthesis. The current study aims to introduce a safe, low‐cost, and green synthesis of SeNPs using fresh fruit extract of Vaccinium arctostaphylos L. The biogenic synthesis of SeNPs was confirmed by different analyses including ultraviolet‐visible spectrophotometry, Fourier transform infrared, and energy‐dispersive X‐ray. Also, the crystalline nature, size, and morphology of the obtained SeNPs were characterized by X‐ray diffraction, dynamic light scattering, field emission scanning electron microscopy, and transmission electron microscopy techniques. The SeNPs were successfully synthesized with fruit extract of V. arctostaphylos L. in a regular spherical form and narrow size distribution with suitable zeta‐potential values and exhibited appropriate biocompatibility. It revealed that the synthesized SeNPs can significantly inhibit the growth of 4T1 breast cancer cells with an IC50 of ∼84.19 ± 25.96 µg/ml after 72 h treatment. Overall, it can be concluded that the green synthesized SeNPs can be attractive, nontoxic, and eco‐friendly candidates for drug delivery or medicinal applications.
STEMI in nonagenarians: Never too old
Authors: Sheldon Mark , Blankenship James C. 
Published: July 2022

Key Points
The mortality rate of ST‐elevation myocardial infarction (STEMI) is increased in the elderly whether or not they undergo primary percutaneous coronary intervention (pPCI).
If a nonagenarian presents with a STEMI, a more aggressive approach including pPCI can positively influence their chance of survival.
This increased chance of survival after pPCI comes at the expense of having a modest increase in the chance of readmission to the hospital in the first 30 days.
Amorphous and Crystalline Vanadium Orthophosphate and Oxidized Multiwalled Carbon Nanotube Composites as Anode Materials in Sodium‐Ion Batteries
Authors: Basa Anna , Gajko Ewelina , Goclon Jakub , Wilczewska Agnieszka Z. , Winkler Krzysztof 
Published: July 2022

AbstractInvited for this issue's Front Cover is the group of Prof. Krzysztof Winkler from the Department of Chemistry, University of Bialystok (Poland). The cover picture schematically illustrates the electrode process that runs during reduction of a composite consisting of the vanadium phosphate and multiwalled carbon nanotubes for a sodium‐ion battery. Such material exhibits promising capacitance properties, good rate performance and long lifetime. It can be used as anode material in sodium‐ion batteries. Read the full text of the Research Article at 10.1002/celc.202200174.
Reversible Oxidative Addition of Zinc Hydride at a Gallium(I)‐Centre: Labile Mono‐ and Bis(hydridogallyl)zinc Complexes
Authors: Morris Louis J. , Rajeshkumar Thayalan , Maron Laurent , Okuda Jun 
Published: July 2022

AbstractIn the presence of TMEDA (N,N,N’,N’‐tetramethylethylenediamine), partially deaggregated zinc dihydride as hydrocarbon suspensions react with the gallium(I) compound [(BDI)Ga] (I, BDI={HC(C(CH3)N(2,6‐iPr2‐C6H3))2}−) by formal oxidative addition of a Zn−H bond to the gallium(I) centre. Dissociation of the labile TMEDA ligand in the resulting complex [(BDI)Ga(H)−(H)Zn(tmeda)] (1) facilitates insertion of a second equiv. ofIinto the remaining Zn−H to form a thermally sensitive trinuclear species [{(BDI)Ga(H)}2Zn] (2). Compound1exchanges with polymeric zinc dideuteride [ZnD2]nin the presence of TMEDA, and with compoundsIand2via sequential and reversible ligand dissociation and gallium(I) insertion. Spectroscopic and computational studies demonstrate the reversibility of oxidative addition of each Zn−H bond to the gallium(I) centres.
Highly Oxygenated Dimeric Grayanane Diterpenoids as Analgesics: TRPV1 and TRPA1 Dual Antagonists from Rhododendron molle
Authors: Huang Lang , Zheng Guijuan , Feng Yuanyuan , Jin Pengfei , Gao Biao , Zhang Hanqi , Ma Xiaomin , Zhou Junfei , Yao Guangmin 
Published: July 2022

Comprehensive SummarySix highly oxygenated dimeric grayanane diterpenoids (1—6) including three new ones, bismollethers A—C (1—3), were isolated from the flowers of Rhododendron molle collected at Qichun, Hubei, China. The structures and relative configurations of 1—6 were determined by comprehensive spectroscopic data analysis and 13C NMR calculation with DP4+ analysis. The absolute configurations of bismollethers A—C (1—3) and birhodomollein B (5) were indubitably assigned by single‐crystal X‐ray diffraction analysis, revealing the head‐to‐tail linking manner of diterpenoid monomers. Bismollether A (1) is a caged dimeric grayanane diterpenoid linked through two oxygen‐bridges of C‐2 − O − C‐14′ and C‐14 − O − C‐2′, featuring a unique 1,8‐dioxacyclotetradecane motif. The plausible biosynthesis pathways of 1—6 are proposed. All the isolates displayed significant analgesic activities and their structure‐activity relationships were discussed. Grayanane diterpenoid dimers were found to be TRPV1 and TRPA1 dual antagonists, and docking studies provide a structural basis to design potent analgesics.
Association of Medicaid expansion with racial disparities in cancer stage at presentation
Authors: Snyder Rebecca A. , Hu Chung‐Yuan , DiBrito Sandra R. , Chang George J. 
Published: July 2022

BACKGROUNDThis study evaluates the independent association of Medicaid expansion on stage of presentation among patients of Black and White race with colorectal (CRC), breast, or non‐small cell lung cancer (NSCLC).METHODSA cohort study of patients with CRC, breast cancer, or NSCLC (2009–2017) in the National Cancer Database was performed. Difference‐in‐differences (DID) analysis was used to compare changes in tumor stage at diagnosis between Medicaid expansion (MES) and non‐expansion states (non‐MES) before and after expansion. Predictive margins were calculated by race, year, and insurance status to account for effect heterogeneity. Stage migration was determined by measuring the combined proportional increase in stage I and decrease in stage IV disease at diagnosis.RESULTSBlack patients gained less Medicaid coverage than White patients (6.0% vs 13.1%,p < 0.001) after expansion. Among Black and White patients, there was a shift towards increased early‐stage diagnosis (DID 3.5% and 3.5%, respectively;p < 0.001) and decreased late‐stage diagnosis (DID White: −3.5%; Black −2.5%;p < 0.001) in MES compared to non‐MES following expansion. Overall stage migration was greater for White compared to Black patients with CRC (10.3% vs. 5.1%) and NSCLC (8.1% vs. 6.7%) after expansion. Stage migration effects in patients with breast cancer were similar by race (White 4.8% vs. Black 4.5%).CONCLUSIONAn increased proportion of Black and White patients residing in Medicaid expansion states presented with earlier stage cancer following Medicaid expansion. However, because the proportion of Black patients is higher in non‐expansion states, national racial disparities in cancer stage at presentation appear worse following Medicaid expansion.
Efficacy of a password‐protected, pill‐dispensing device with mail return capacity to enhance disposal of unused opioids after cancer surgery
Authors: Cogan Jacob C. , Accordino Melissa K. , Beauchemin Melissa P. , Spivack John H. , Ulene Sophie R. , Elkin Elena B. , Melamed Alexander , Taback Bret , Wright Jason D. , Hershman Dawn L. 
Published: July 2022

BackgroundOpioid misuse is a public health crisis, and unused postoperative opioids are an important source. Although 70% of pills prescribed go unused, only 9% are discarded. This study evaluated whether an inexpensive pill‐dispensing device with mail return capacity could enhance disposal of unused opioids after cancer surgery.MethodsA prospective pilot study was conducted among adult patients who underwent major cancer‐related surgery. Patients received opioid prescriptions in a mechanical device (Addinex) linked to a smartphone application (app). The app provided passwords on a prescriber‐defined schedule. Patients could enter a password into the device and receive a pill if the prescribed time had elapsed. Patients were instructed to return the device and any unused pills in a disposal mailer. The primary end point was feasibility of device return, defined as ≥50% of patients returning the device within 6 weeks of surgery. Also explored was total pill use and return as well as patient satisfaction.ResultsAmong 30 patients enrolled, the majority (n = 24, 80%) returned the device, and 17 (57%) returned it within 6 weeks of surgery. In total, 567 opioid pills were prescribed and 170 (30%) were used. Of 397 excess pills, 332 (84% of unused pills, 59% of all pills prescribed) were disposed of by mail. Among 19 patients who obtained opioids from the device, most (n = 14, 74%) felt the benefits of the device justified the added steps involved.ConclusionsUse of an inexpensive pill‐dispensing device with mail return capacity is a feasible strategy to enhance disposal of unused postoperative opioids.
Assessment of chemotherapy‐induced neurotoxicity using a point‐of‐care nerve conduction study device
Authors: Jokimäki Anna , Iivanainen Sanna , Mikkonen Raija , Mika Kallio , Koivunen Jussi 
Published: July 2022

AbstractBackgroundManagement for chemotherapy‐induced peripheral neuropathy (CIPN) includes prompt recognition and dose reduction or discontinuation of the neurotoxic agents. CIPN remains under‐detected in routine clinical practice and better methods for its early detection are warranted.AimsTo evaluate the feasibility of a point‐of‐care device in the early detection of CIPN.Methods and ResultsCancer patients (n = 12) scheduled to receive neurotoxic chemotherapy docetaxel, oxaliplatin (OX), or vincristine were recruited for the pilot study (NCT04778878). The patients were assessed with a point‐of‐care nerve conduction study device (Mediracer® NCS), EORTC QLQ‐CIPN20 and NPSI questionnaires, and healthcare professional‐assessed CTCAE‐based grading at baseline and thereafter every 6‐weeks up to 18 weeks or until chemotherapy discontinuation. The set‐up of point‐of‐care device was easy but it only provide successful NCS measurement results in 55% of the patients. The factors related to failed measurement were older age, more frequent comorbidities, and a history of smoking. With the follow‐up measurements, decreasing median nerve mean conduction velocity and amplitude, and increasing median nerve mean distal latency were detected on OX‐patients. Of the used questionnaires, NPSI was found to be non‐feasible with majority of the patients failing to complete the questionnaire while CIPN20 was feasible on all the subjects. CIPN20 score did not show any changes in the follow‐up.ConclusionsPoint‐of‐care assessment for NCS was feasible but measurements frequently failed especially on patients with pre‐existing high‐risk for neuropathy. OX‐treated showed decreasing NCS results while other measures were unable to access the change. The system should be further validated with a larger patient cohort preferably treated with OX and low‐risk for pre‐existing neuropathy.
Privacy‐preserving clustering of unstructured big data for cloud‐based enterprise search solutions
Authors: Zobaed Sm , Amini Salehi Mohsen 
Published: July 2022

SummaryCloud‐based enterprise search services (e.g., Amazon Kendra) are enchanting to big data owners by providing them with convenient search solutions over their enterprise big datasets. However, individuals and businesses dealing with confidential big data (e.g., criminal reports) are reluctant to fully embrace such cloud services due to valid data privacy concerns. Solutions based on client‐side encryption have been developed to mitigate these concerns. Nonetheless, such solutions hinder data processing, especially, data clustering, which is pivotal in applications such as real‐time search on large corpora (e.g., big datasets). To cluster encrypted big data, we propose privacy‐preserving clustering schemes, called ClusPr, for three forms of unstructured datasets, namely static, semi‐dynamic, and dynamic. ClusPr functions based on statistical characteristics of the datasets to: (A) determine the suitable number of clusters; (B) populate the clusters with topically relevant tokens; and (C) adapt the cluster set based on the dynamism of the underlying dataset. Experimental results, obtained from evaluating ClusPr against other schemes in the literature, on three different test datasets demonstrate between and improvement on the cluster coherency. Moreover, we notice that employing ClusPr within a privacy‐preserving enterprise search system can reduce the search time by up to , while improving the search accuracy by up to .
PECCO: A profit and cost‐oriented computation offloading scheme in edge‐cloud environment with improved Moth‐flame optimization
Authors: Wu Jiashu , Dai Hao , Wang Yang , Shen Shigen , Xu Chengzhong 
Published: July 2022

SummaryWith the fast growing quantity of data generated by smart devices and the exponential surge of processing demand in the Internet of Things (IoT) era, the resource‐rich cloud centers have been utilized to tackle these challenges. To relieve the burden on cloud centers, edge‐cloud computation offloading becomes a promising solution since shortening the proximity between the data source and the computation by offloading computation tasks from the cloud to edge devices can improve performance and quality of service. Several optimization models of edge‐cloud computation offloading have been proposed that take computation costs and heterogeneous communication costs into account. However, several important factors are not jointly considered, such as heterogeneities of tasks, load balancing among nodes and the profit yielded by computation tasks, which lead to the profit and cost‐oriented computation offloading optimization modelPECCOproposed in this article. Considering that the model is hard in nature and the optimization objective is not differentiable, we propose an improved Moth‐flame optimizerPECCO‐MFIwhich addresses some deficiencies of the original Moth‐flame optimizer and integrate it under the edge‐cloud environment. Comprehensive experiments are conducted to verify the superior performance of the proposed method when optimizing the proposed task offloading model under the edge‐cloud environment.
Visible‐Light‐Driven Photocatalytic Cellulose‐to‐H2 Conversion by MoS2/ZnIn2S4 Photocatalyst with Cellulase Assistance
Authors: Liu Qing‐Yu , Wang Pei , Zhang Fu‐Guang , Yuan Yong‐Jun 
Published: July 2022

AbstractVisible‐light‐driven photocatalytic cellulose‐to‐H2 conversion system was successfully designed by using MoS2/ZnIn2S4 as the photocatalyst and cellulase as the enzyme catalyst. At first, the cellulose was converted to glucose by cellulase. The generated glucose acted as an efficient hole trapper and electron donor, which was further converted into H2 through photocatalytic reaction over MoS2/ZnIn2S4 under visible light irradiation. The optimum H2 generation rate achieved under visible light irradiation (λ>420 nm) was 12.2 μmol ⋅ h−1 ⋅ g−1 in the presence of 100 mg of 3 % MoS2/ZnIn2S4, 100 mg cellulase and 2 g poplar wood chip. These results open up a new possibility for the development of efficient visible‐light‐responding photocatalytic cellulose to H2 conversion system that combine photocatalysis and enzyme technology.
An Automated Computer‐Vision “Bubble‐Counting” Technique to Characterise CO2 Dissolution into an Acetonitrile Flow Stream in a Teflon AF‐2400 Tube‐in‐Tube Flow Device
Authors: O'Brien Matthew , Moraru Ruxandra 
Published: July 2022

AbstractA Teflon AF‐2400 based tube‐in‐tube device was used to generate flow streams of CO2 in acetonitrile and a computer‐vision based ‘bubble counting’ technique was used to estimate the amount of CO2 that had passed into solution whilst in the tube‐in‐tube device by quantifying the amount of CO2 that left solution (forming separate gas‐phase segments) downstream of the back‐pressure regulator. For both CO2 pressures used, there appeared to be a minimum residence time below which no CO2 was observed to leave solution. This was assumed to be due to residual CO2 below (or close to) the saturation concentration at atmospheric pressure and, by taking this into account, we were able to fit curves corresponding to simple gradient‐driven diffusion and which closely matched previously obtained colorimetric titration data for the same system. The estimated value for the residual concentration of CO2 (0.37 M) is higher than, but in reasonable general correspondence with, saturation concentrations previously reported for CO2 in acetonitrile (0.27 M).