bluuebunny/crossref_metadata_2025_split huggingface dataset:
A retrospective longitudinal evaluation of new overactive bladder patients in an FPMRS urologist practice: Are patients following up and utilizing third‐line therapies?
Authors: Du Chris , Berg William T. , Siegal Alexandra R. , Huang Zhenyue , Nguyen Anh , Cheung Alice , Mehraban‐Far Sina , Anderson Rebecca , Jacob Sophia , Kim Jason 
Published: November 2020

AbstractAimsThird‐line therapies are efficacious in improving overactive bladder (OAB) symptoms; however, OAB patients have poor follow‐up and rarely progress to these therapies. Clinical care pathways (CCP) may improve OAB follow‐up rates and third‐line therapy use. We sought to determine how new OAB patients follow up and utilize third‐line therapies with the implementation of an OAB CCP in a fellowship Female Pelvic Medicine and Reconstructive Surgery (FPMRS) trained urologist's academic practice.MethodsWe identified new OAB patients using ICD‐9 and 10 codes. They were placed into two groups: pre‐ and post‐CCP use. Basic demographic data were collected. Patients were evaluated in a retrospective longitudinal fashion over 12 months to determine follow‐up and third‐line therapy utilization.ResultsA total of 769 new OAB patients (261 pre‐CCP and 508 post‐CCP) were identified. The mean number of follow‐up visits increased significantly at 6 months (0.94 vs. 1.64 visits, p = .001) and 12 months (1.26 vs. 2.46 visits, p < .003). Follow‐up rates increased significantly at 3 months (38.7% vs. 50.2%, p = .002). Mean time to third‐line therapy decreased significantly (280 days vs. 160 days, p = .016). Third‐line therapy utilization therapy rates increased at 6 months (7.7% vs. 13.4%, p = .018) and at 12 months (11.1% vs. 16.5%, p = .044).ConclusionsNew OAB patients follow‐up and progress to third‐line therapies faster and more frequently with the use of a CCP in an FPMRS‐trained urologist practice. However, many OAB patients still fail to follow up and overall utilization of third‐line therapies remains low. Future studies are warranted to identify factors to why overall OAB compliance remains low.
Stochastic analysis of an automated storage and retrieval system with multiple in‐the‐aisle pick positions
Authors: Liu Jingming , Liao Haitao , White John A. 
Published: November 2020

AbstractAn automated storage and retrieval system with multiple in‐the‐aisle pick positions (MIAPP‐AS/RS) is often used to support case‐picking occurring at floor and mezzanine levels. In this paper, the replenishment process is modeled as an M/G/1/N/N queueing problem in which the aisle‐captive AS/R machine is the server and pick positions requiring replenishments are customers. Four scenarios are considered: finite population with dedicated storage, finite population with random storage, infinite population with dedicated storage and infinite population with random storage. The corresponding probability density functions (PDFs) for travel time are derived using a Chebyshev travel metric. For the finite population case, PDFs are derived using a novel method based on contour lines; the contour‐line‐based method can be used to derive PDFs for similar problems. From queueing and simulation results, the robustness of the M/G/1/N/N queueing model is demonstrated, allowing it to be applied in analyzing an MIAPP‐AS/RS case‐picking operation when interarrival times of replenishment requests are not exponentially distributed and heterogeneous customers are present. Dedicated‐ and random‐storage policies for reserve storage are compared and conditions favoring each policy are provided. A case study demonstrates how queueing results can be applied in designing an MIAPP‐AS/RS.
On solutions of fuzzy fractional order complex population dynamical model
Authors: Ullah Abd , Ullah Aman , Ahmad Shabir , Ahmad Imtiaz , Akgül Ali 
Published: November 2020

AbstractUncertainty always involved in our life activities because we cannot measure a physical quantity accurately. This situation has handled by fuzzy systems and fuzzy differential equations. Recently, fuzzy fractional differential equations got tremendous attention of the researchers of the current century because these operators model the real phenomenon more accurately than integer‐order and fractional‐order operators. Therefore, we investigate the complex population dynamical model under the fuzzy Caputo fractional derivative. Since the Laplace transform has a high convergence rate among all transform methods, so we use fuzzy Laplace transform along with Adomian decomposition to obtain general numerical results for the proposed model. We provide two examples to support the proposed procedure. We simulate the numerical results in terms of graphs for the various fractional‐order and at uncertaintyr ∈ [0, 1].
The Impact of Human Papillomavirus Infection on Skin Cancer: A Population-Based Cohort Study
Authors: Chen Ming-Li , Wang Shuo-Hsuan , Wei James Cheng-Chung , Yip Hei-Tung , Hung Yao-Min , Chang Renin 
Published: November 2020

Abstract

Background
This study investigated the correlation between a history of human papillomavirus (HPV) infection and skin cancer risk.

Materials and Methods
The study cohort comprised 26,919 patients with newly diagnosed HPV infection between 2000 and 2012; with the use of computer-generated numbers, patients without previous HPV infection were randomly selected as the comparison cohort. The patients in the HPV infection cohort were matched to comparison individuals at a 1:4 ratio by demographic characteristics and comorbidities. All study individuals were followed up until they developed skin cancer, withdrew from the National Health Insurance program, were lost to follow-up, or until the end of 2013. The primary outcome was subsequent skin cancer development. Cox proportional hazards regression analysis was used to analyze the risk of skin cancer with hazard ratios (HRs) and 95% confidence intervals (CIs) between the HPV and control cohort.

Results
The adjusted HR of skin cancer for patients with HPV relative to controls was 2.45 after adjusting sex, age and comorbidities. (95% CI, 1.44–4.18, p &lt; .01). The subgroup analysis indicated that a patient with HPV infection had a significantly greater risk of skin cancer if they were aged &gt;40 years. Notably, a risk of skin cancer was found in the group diagnosed with HPV within the first 5 years after the index date (adjusted HR, 3.12; with 95% CI, 1.58–5.54). Sensitivity analysis by propensity score, matching with balanced sex, age, and comorbidities, showed consistent results.

Conclusion
A history of HPV infection is associated with the development of subsequent skin cancer in Taiwanese subjects, and the risk wanes 5 years later.

Implications for Practice
In this Taiwan nationwide cohort study, there was a 2.45-fold increased risk of developing new-onset skin cancers for patients with incident human papillomavirus (HPV) infection, compared with the matched controls. Furthermore, the risk was noticeably significant among patients aged &gt;40 years. A prominent risk of skin cancers was found in the group diagnosed with HPV within the first 5 years after the index date in this study. The results of this analysis may raise consensus on the effect of HPV infection on the risk of skin cancers. Clinicians are encouraged to implement prudently on the differential diagnosis of skin cancers and HPV prevention and treatment, especially in older patients.
Everolimus-Related Pneumonitis in Patients with Metastatic Breast Cancer: Incidence, Radiographic Patterns, and Relevance to Clinical Outcome
Authors: Gong Chengcheng , Xiao Qin , Li Yi , Gu Yajia , Zhang Jian , Wang Leiping , Cao Jun , Tao Zhonghua , Zhao Yannan , Xie Yizhao , Hu Xichun , Wang Biyun 
Published: November 2020

Abstract

Background
This study investigated the incidence, radiographic patterns, and relevance to clinical outcome of everolimus-related pneumonitis (ERP) in patients with metastatic breast cancer (MBC).

Materials and Methods
Data of patients with MBC treated with everolimus who had baseline and at least one follow-up chest computed tomography (CT) were obtained from a medical electronic database system. An independent review of the CT scans of these patients was conducted by two radiologists (NCT 03730428). Log-rank and Cox proportional hazard regression analyses were used for time-to-event analyses.

Results
ERP was radiographically detected in 45 of 86 patients (52.3%). In more than 80% of these patients, ERP occurred during the first 4 months of everolimus treatment. Only 14 of the 45 patients with ERP were symptomatic (31.1%). Symptoms included cough, fever, and shortness of breath. Bilateral and lower distribution of the pneumonitis was most common. In most of the cases, ground-glass opacities and reticular opacities were noticed. Elderly patients were more likely to develop ERP. Patients with ERP had significantly longer progression-free survival (PFS; 6.8 vs. 4.1 months, p = .024) and overall survival (OS; 42.8 vs. 21.3 months, p = .016). ERP was a predictor of OS improvement confirmed by multivariate Cox analysis (hazard ratio, 0.49; 95% confidence interval, 0.25–0.97; p = .040).

Conclusions
ERP was noted in half of the patients with MBC treated with everolimus. Our data suggested that ERP was associated with improved prognosis and may be used as a biomarker for the efficacy of everolimus in MBC. Close monitoring, prompt diagnosis, and proper treatment for ERP are essential to maintain the quality of life of patients and achieve maximum treatment benefits.

Implications for Practice
Everolimus-related pneumonitis (ERP) is one of the most worrying drug adverse events, especially in Asian patients. However, little has been known about the clinical and radiographic details of ERP in patients with metastatic breast cancers (MBCs) treated with everolimus. The present study investigated the clinical characteristics, radiographic patterns, and its correlation with treatment outcome in patients with MBC. ERP was identified in more than half of patients with MBC during everolimus therapy and was associated with improved outcome. Close monitoring and prompt diagnosis and appropriate treatment for ERP are critical for the preservation of patients' quality of life and achievement of maximal treatment benefits.
Recent developments in catalytic amide bond formation
Authors: Todorovic Mihajlo , Perrin David M. 
Published: November 2020

AbstractAmide bond forming reactions are critical for both polypeptide synthesis and medicinal chemistry. Most current approaches for amidation employ stoichiometric activating agents, but such methods are neither atom economical nor synthetically elegant. Catalytic approaches for amidation are potentially green and more ideal substitutes for current standard methods and thus are the subject of this review. Such methods face significant thermodynamic and kinetic barriers and have, as a result, historically conceded the use of elevated temperatures and dehydrating agents or lacked broad and relevant substrate scopes from the perspective of peptide chemistry. Recent advancements in methods for both direct amidation (the coupling of a carboxylic acid and an amine) and indirect amidation (the coupling of other partners resulting in an amide bond) based on aryl boronic acids, transition metals and organocatalysis for the former and ester amidation and redox‐coupled amidation for the later, address these previous shortcomings and are examined therein.
Autocatalyzed oxidation of d‐glucitol by alkaline copper (III) periodate complex: A kinetic and mechanistic approach
Authors: Patil Shreekant M. , Bagoji Atmanand M. , Konnur Santosh B. , Nandibewoor Sharanappa T. 
Published: November 2020

AbstractAn autocatalyzed oxidation of d‐glucitol (DG) by diperiodatocuprate (III) (DPC) in aqueous alkaline medium at a constant ionic strength of 0.06 mol dm−3 was studied spectrophotometrically. An autocatalysis was observed by one of the products formed, that is, Cu (II). A 1:2 stoichiometry (DG : DPC) exhibited reaction between the DG and DPC in an aqueous alkaline medium. The reaction was of first order in [DPC] when [DPC] < < [DG], while the order with respect to [DG] and [OH−] was less than unity, whereas periodate had retarding effect on the rate of reaction. Ionic strength had a negligible effect on the rate of reaction. The main reaction products were identified by the spot tests and spectroscopic analysis. The product, Cu (II), catalyzed the reaction with a fractional order. A composite mechanism involving uncatalyzed and autocatalyzed reaction paths was proposed. The activation parameters with respect to slow step of the mechanism and also the thermodynamic quantities were determined and discussed.
Structural insight into the novel iron‐coordination and domain interactions of transferrin‐1 from a model insect, Manduca sexta
Authors: Weber Jacob J. , Kashipathy Maithri M. , Battaile Kevin P. , Go Eden , Desaire Heather , Kanost Michael R. , Lovell Scott , Gorman Maureen J. 
Published: November 2020

AbstractTransferrins function in iron sequestration and iron transport by binding iron tightly and reversibly. Vertebrate transferrins coordinate iron through interactions with two tyrosines, an aspartate, a histidine, and a carbonate anion, and conformational changes that occur upon iron binding and release have been described. Much less is known about the structure and functions of insect transferrin‐1 (Tsf1), which is present in hemolymph and influences iron homeostasis mostly by unknown mechanisms. Amino acid sequence and biochemical analyses have suggested that iron coordination by Tsf1 differs from that of the vertebrate transferrins. Here we report the first crystal structure (2.05 Å resolution) of an insect transferrin. Manduca sexta (MsTsf1) in the holo form exhibits a bilobal fold similar to that of vertebrate transferrins, but its carboxyl‐lobe adopts a novel orientation and contacts with the amino‐lobe. The structure revealed coordination of a single Fe3+ ion in the amino‐lobe through Tyr90, Tyr204, and two carbonate anions. One carbonate anion is buried near the ferric ion and is coordinated by four residues, whereas the other carbonate anion is solvent exposed and coordinated by Asn121. Notably, these residues are highly conserved in Tsf1 orthologs. Docking analysis suggested that the solvent exposed carbonate position is capable of binding alternative anions. These findings provide a structural basis for understanding Tsf1 function in iron sequestration and transport in insects as well as insight into the similarities and differences in iron homeostasis between insects and humans.
Electrochemical Determination of Fluoroquinolone Antibiotic Norfloxacin in the Presence of Anionic Surfactant Using the Anodically Pretreated Boron‐Doped Diamond Electrode
Authors: Karahan Fatih , Başı Zehra , Keskin Ertuğrul , Pınar Pınar Talay , Yardım Yavuz , Şentürk Zühre 
Published: November 2020

AbstractIn this article, a simple, fast and inexpensive methodology has been developed for the determination of fluoroquinolone class antibiotic norfloxacin (NFX) in anionic surfactant media (sodium dodecyl sulphate, SDS) using an anodically pretreated boron‐doped diamond (APT‐BDD) electrode. Cyclic voltammetric studies showed that the NFX gave an irreversible and adsorption controlled anodic oxidation signal at a potential of about +1.32 V on the APT‐BDD electrode. The effects of parameters such as the electrode pre‐treatment procedure, SDS concentration, and instrumental variables on the electrochemical sensitivity of NFX were evaluated. Under optimized conditions, the linearity was achieved in the range of 0.05 to 4.0 μg mL−1 (1.57×10−7−1.25×10−5 mol L−1), with a detection limit of 0.013 μg mL−1 (4.07×10−8 mol L−1) by using square‐wave adsorptive stripping voltammetry (SW‐AdSV). The feasibility of the developed approach for the quantification of NFX in urine samples was tested.
A Novel ‘On‐Off’ Rhodamine Based Sensor for Colorimetric Detection of CN−and Its Application as Encoder‐Decoder and Molecular Keypad Lock
Authors: Mehta Ruhi , Luxami Vijay 
Published: November 2020

AbstractA novel rhodamine‐phenalenedicarbonitrile based “on‐off” sensor (Rho‐Pdc) has been synthesized which is characterized by 1H NMR, 13C NMR and mass spectrometry. The photophysical studies of the dyad suggest its existence in spirolactam ring open form of rhodamine. ICT (Intramolecular Charge Transfer) active sensor displays an absorption band at 577 nm with a shoulder at 520 nm and fluorescence band at 593 nm. The treatment of dyad Rho‐Pdc with different anions shows its sensitivity and selectivity towards CN− ions in aqueous methanolic solution with lowest detection limit of 0.13 μM and the binding constant was determined to be 1.17 × 104 M−1 by applying Benesi‐Hildebrand equation. The presence of CN− ions hinder the ICT process of dyad Rho‐Pdc and shows a blue shift in absorption band of dyad Rho‐Pdc with formation of new band at 488 nm as well as decrease in the intensity of emission band. Rho‐Pdc has also been used for the colorimetric detection of CN− ions among different anions and concentrations. The reversibility of Rho‐Pdc.CN−complex has been achieved with Fe3+ ions which formed the basis for the construction of multiple molecular logic circuits.
α‐C‐Mannosyltryptophan is a Structural Analog of the Luciferin from Bioluminescent Siberian Earthworm Henlea sp.
Authors: Dubinnyi Maxim A. , Ivanov Igor A. , Rodionova Natalia S. , Kovalchuk Sergey I. , Kaskova Zinaida M. , Petushkov Valentin N. 
Published: November 2020

AbstractCold extract from bioluminescent earthworm Henlea sp. was studied by HPLC, 1D and 2D NMR and LC‐HRMS analysis. An abundant structural analog of the luciferin was isolated and identified as α‐C‐mannosyltryptophan (ManTrp), the product of unusual C2‐glycosylation found earlier in humans, ascidians and other animals. Two compounds in cold extract (P300b, P300c) were characterized as C2‐substituted derivatives of tryptophan. We hypothesize that a series of tryptophan‐containing compounds are possible participants of bioluminescence‐related metabolism in Henlea sp.
7‐(β‐D‐Ribofuranosyl)guanine and its Analogues Modified in the Sugar Portion: Synthesis and Antiglioma Properties
Authors: Wawrzyniak Dariusz , Framski Grzegorz , Januszczyk Piotr , Ostrowski Tomasz , Baraniak Dagmara , Jahnz‐Wechmann Zofia , Fogt Joanna , Manikowski Andrzej , Baranowski Daniel , Rolle Katarzyna , Boryski Jerzy 
Published: November 2020

AbstractA series of guanine 7‐nucleosides and their analogs modified in the sugar portion have been synthesized and evaluated for their cytotoxicity in vitro against five cancer cell lines (T98G,U‐251 MG, HeLa, SKOV‐3, T‐47D) with MRC‐5 (healthy cells) as a reference. Several guanine 7‐pentafuranosides and 7‐acyclo‐nucleosides have demonstrated a selective anti‐malignant potency at micromolar concentrations in the case of T98G and U‐251 MG glioma lines, while being totally inactive against other cancer cells.
Chiral Polyurea from Tartaric Acid Derived and Lysine Backbone: A Synthetic and Computational Study
Authors: Ünay Gizem Çalışgan , Yıldırım Erol , Akdag Akin 
Published: November 2020

AbstractIn recent years, the studies on artificial helical polymers have become an attractive field due to their impressive optical activity and functions. They have numerous potential applications in many areas such as chiral recognition, enantioselective crystallization, enantioselective release, asymmetric catalysis, and 3D displays.Two new urea containing polymers were synthesized in this study. P‐1 synthesis was accomplished, starting from tartaric acid. Tartaric acid was successfully converted to diamine 4. The diamine was treated with a p‐phenylene diisocyanate to get helical structures at the macroscopic level, as evidenced by SEM images. This was shown to be the case through interchain H‐bonding between urea groups and microphase separation between the segments due to hydrophobicity difference along the chain. Limited conformational space in P‐1 also assisted the helical structure formation. P‐2 was synthesized by treating L‐lysine with p‐phenylene diisocyanate. Due to the ample conformational space and intersegmental mixing due to hydrogen bond between urea and L‐lysine segments, P‐2 was shown not to be in a helical conformation. Molecular dynamics simulations and first principle studies were used to explain observed structural behaviour for these polymers.
Synthesis of Uscharin Oxime Analogues and Their Biological Evaluation as HIF‐1 Inhibitors
Authors: Zhou Xiaobo , Xiao Riping , Chen Ming , Bai Li‐Ping 
Published: November 2020

AbstractUscharin‐like non‐classical cardenolides are considered to be useful as HIF‐1 inhibitors in the treatment of cancers. To develop more potent HIF‐1 inhibitors, oximes and oxime ethers of uscharin were designed and synthesized. Oximation of uscharin exhibited unexpectedly a regioselectivity and stereoselectivity at 3′‐thiazoline but not at the 19‐aldehyde group, since either E‐ketoxime derivative 2 or its ether 5 at C‐3′ was found as the only product during oximation of uscharin using hydroxylamine or methoxyamine at room temperature. Two 19‐aldoxime derivatives 4 and 6 were also synthesized. Ketoxime analogue 2 showed more potent inhibitory effect on HIF‐1 transcriptional activity than the parental uscharin. Ketoxime ether 5 and 19‐aldoxime 6 exhibited stronger HIF‐1 suppressing effect than digoxin (the positive control drug). Moreover, ketoxime derivative 2 displayed the most potent anti‐proliferative activity against MCF‐7 cancer cells among all compounds. An analysis of structure‐activity relationship revealed that 3′‐ketoxime is a superior moiety to a thiazoline ring, while 19‐aldoxime is inferior to an aldehyde counterpart. Our findings may provide some guidance for the rational design of uscharin‐based promising HIF‐1 inhibitors.
Recent Progress in Sulfonylation via Radical Reaction with Sodium Sulfinates, Sulfinic Acids, Sulfonyl Chlorides or Sulfonyl Hydrazides
Authors: Dong Dao‐Qing , Han Qing‐Qing , Yang Shao‐Hui , Song Jing‐Cheng , Li Na , Wang Zu‐Li , Xu Xin‐Ming 
Published: November 2020

AbstractSodium sulfinates, sulfinic acids, sulfonyl chlorides and sulfonyl hydrazides as readily available and efficient sulfonylation reagents have been extensively explored in recent years. Sulfonyl radical can be generated from these sulfonyl reagents via different methods, then the sulfonyl radical could react with various substrates via different pathways to afford the corresponding products. In this review, we will summarize the progress in sulfonylation via radical reaction using sodium sulfinates, sulfinic acids, sulfonyl chlorides and sulfonyl hydrazides in recent three years. In terms of the different sulfonylation reagents, we classify these sulfonylation reactions into four types: 1. Sulfonylation reaction using sodium sulfinates. 2. Sulfonylation reaction using sulfinic acid. 3. Sulfonylation reaction using sulfonyl chlorides. 4. Sulfonylation reaction using sulfonyl hydrazides.