bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformational Effects on the Threading Kinetics of Dumbbell‐Shaped Guests into the Cavity of Oxatub[4]arene
Authors: Jia Fei , Li Dong‐Hao , He Shan , Yang Liu‐Pan , Jiang Wei 
Published: September 2022

AbstractUnprecedented threading kinetics were revealed between viologen‐based guests and conformationally adaptive oxatub[4]arene. Three representative conformations of oxatub[4]arene are involved in the kinetic and thermodynamic products which follow the opposite orders in their rankings. Consequently, error correction was involved and a complex kinetic process was observed in a simple two‐component system. Moreover, it was found that some viologen‐based guests have much faster threading kinetics than those of DABCO‐based with the same stoppers. This was enabled by an unprecedented threading mechanism in which a tilted conformation of the guests is adopted by involving one linear alkyl group on the 3,5‐dialkoxybenzyl stoppers, the viologen core, and the methylene spacers in the transition states. This new mechanism even allows the viologen‐based guests with the 3,5‐dicetyloxybenzyl stoppers to form a pseudorotaxane with oxatub[4]arene.
A Proton Conductive Porous Framework of an 18‐Crown‐6‐Ether Derivative Networked by Rigid Hydrogen Bonding Modules
Authors: Chen Xin , Huang Rui‐Kang , Takahashi Kiyonori , Noro Shin‐ichiro , Nakamura Takayoshi , Hisaki Ichiro 
Published: September 2022

AbstractA rigid hydrogen‐bonded organic framework (HOF) was constructed from a C3‐symmetric hexatopic carboxylic acid with a hydrophilic 18‐crown‐6‐ether (18C6) component. Despite the flexible macrocyclic structure with many conformations, the derivative with three 4,4’‐dicarboxy‐o‐terphenyl moieties in the periphery yielded a rigid layered porous framework through directional intermolecular hydrogen bonding. Interestingly, the HOF possesses 1D channels with bottleneck composed of 18C6 rings. The HOF shows proton conductivity (1.12×10−7 S cm−1) through Grotthuss mechanism (Ea=0.27 eV) under 98 %RH. The present unique water channel structure provides an inspiration to create molecular porous materials.
Redox‐Regulated Conformational Change of Disulfide‐Rich Assembling Peptides
Authors: Dong Huilei , Wang Mingshui , Fan Shihui , Wu Chuanliu , Zhang Chunhui , Wu Xia , Xue Bin , Cao Yi , Deng Junjie , Yuan Dan , Shi Junfeng 
Published: September 2022

AbstractDisulfide bond formation is a common mechanism for regulating conformational changes in proteins during oxidative folding. Despite extensive studies of the use of multiple disulfide bonds to constrain peptide conformation, few studies have explored their usage in developing self‐assembling peptides. Herein, we report that a thiol‐rich peptide could fold into an amphiphilic β‐hairpin conformation through the formation of two hetero‐disulfide bonds upon oxidation, subsequently self‐assembling into a mechanically rigid hydrogel. Breaking disulfide bonds under reductive condition, the hydrogel exhibited a transition from hydrogel to solution. Molecular simulation revealed that intermolecular interaction between two tryptophan residues was indispensable for hydrogelation. This work is the first case of the use of multiple disulfide bonds to control conformational change and self‐assembly, and provides a cell‐compatible hydrogel material for potential biomedical application.
Bladder neck size and its association with urinary continence after robot‐assisted radical prostatectomy
Authors: Kohjimoto Yasuo , Higuchi Masatoshi , Yamashita Shimpei , Kikkawa Kazuro , Hara Isao 
Published: September 2022

AbstractObjectivesThis study aims to determine whether bladder neck size (BNS) measured during surgery is associated with urinary continence after robot‐assisted radical prostatectomy.Patients and MethodsBetween June 2015 and March 2019, 365 consecutive eligible patients undergoing robot‐assisted radical prostatectomy were enrolled into a prospective observational cohort study. The primary outcome was patient‐reported urinary continence status at 1, 3, 6, 12 and 24 months postoperatively, with continence defined as 0 pad/day. The primary exposure was BNS (largest diameter) measured intraoperatively just before performance of vesicourethral anastomosis. Other covariates included age, body mass index, NCCN risk category, nerve‐sparing, membranous urethral length measured intraoperatively and weight of the resected specimen.ResultsWell‐preserved neurovascular bundle (bilateral/unilateral/none) was highly correlated with urinary continence status at every point after surgery. No difference could be seen between the group with BNS ≤17 mm and the >17‐mm group at 1, 3 and 6 months after surgery, but there was better urinary rate of continence in narrow BNS group (≤17 mm) at 12 and 24 months after surgery. Multivariate analysis showed both nerve sparing and bladder neck diameter to be independent factors affecting urinary continence at 12 and 24 months after surgery.ConclusionPreservation of neurovascular bundles was associated with better urinary continence after surgery. Smaller BNS was associated with better urinary continence in late stages after surgery (12–24 months after surgery).
Lipid metabolism in pancreatic cancer: emerging roles and potential targets
Authors: Yin Xinpeng , Xu Ruiyuan , Song Jianlu , Ruze Rexiati , Chen Yuan , Wang Chengcheng , Xu Qiang 
Published: September 2022

AbstractPancreatic cancer is one of the most serious health issues in developed and developing countries, with a 5‐year overall survival rate currently <9%. Patients typically present with advanced disease due to vague symptoms or lack of screening for early cancer detection. Surgical resection represents the only chance for cure, but treatment options are limited for advanced diseases, such as distant metastatic or locally progressive tumors. Although adjuvant chemotherapy has improved long‐term outcomes in advanced cancer patients, its response rate is low. So, exploring other new treatments is urgent. In recent years, increasing evidence has shown that lipid metabolism can support tumorigenesis and disease progression as well as treatment resistance through enhanced lipid synthesis, storage, and catabolism. Therefore, a better understanding of lipid metabolism networks may provide novel and promising strategies for early diagnosis, prognosis estimation, and targeted therapy for pancreatic cancer patients. In this review, we first enumerate and discuss current knowledge about the advances made in understanding the regulation of lipid metabolism in pancreatic cancer. In addition, we summarize preclinical studies and clinical trials with drugs targeting lipid metabolic systems in pancreatic cancer. Finally, we highlight the challenges and opportunities for targeting lipid metabolism pathways through precision therapies in pancreatic cancer.
Gaps in the screening process for women diagnosed with cervical cancer in four diverse US health care settings
Authors: Chao Chun R. , Chubak Jessica , Beaber Elisabeth F. , Kamineni Aruna , Mao Connie , Silverberg Michael J. , Tiro Jasmin A. , Skinner Celette , Garcia Michael , Corley Douglas A. , Winer Rachel L. , Raine‐Bennett Tina , Feldman Sarah , Wheeler Cosette M. 
Published: September 2022

AbstractBackgroundPotential care gaps in the cervical cancer screening process among women diagnosed with cervical cancer in an era with increased human papillomavirus (HPV) testing have not been extensively evaluated.MethodsWomen diagnosed with cervical cancer between ages 21 and 65 at four study sites between 2010 and 2014 were included. Screening histories were ascertained from 0.5 to 4 years prior to cervical cancer diagnosis. We identified potential care gaps in the screening history for each woman and classified them into one of three mutually exclusive types: lack of a screening test, screening test failure, and diagnostic/treatment care gap. Distributions of care gaps were tabulated by stage, histology, and study site. Multivariable nominal logistic regression was used to examine the associations between demographic and cancer characteristics and type of care gap.ResultsOf 499 women evaluated, 46% lacked a screening test in the time window examined, 31% experienced a screening test failure, and 22% experienced a diagnostic/treatment care gap. More than half of the women with advanced cancer and squamous cell carcinoma lacked a screening test compared to 31% and 24% of women with localized cancer and adenocarcinoma, respectively. Women aged 21–29 at diagnosis were more likely to experience screening test failure and diagnostic/treatment care gap, while those aged 50–65 were more likely to lack a screening test, compared to women aged 30–39.ConclusionsOur findings demonstrate a continuing need to develop interventions targeting unscreened and under‐screened women and improve detection and diagnosis of adenocarcinoma in women undergoing cervical cancer screening and diagnostic follow‐up.
New Transmission‐Selective Antimalarial Agents through Hit‐to‐Lead Optimization of 2‐([1,1′‐Biphenyl]‐4‐carboxamido)benzoic Acid Derivatives
Authors: Reader Janette , Opperman Daniel F. L. , van der Watt Mariëtte E. , Theron Anjo , Leshabane Meta , da Rocha Shanté , Turner Jonathan , Garrabrant Kathleen , Piña Ivett , Mills Catherine , Woster Patrick M. , Birkholtz Lyn‐Marié 
Published: September 2022

AbstractMalaria elimination requires multipronged approaches, including the application of antimalarial drugs able to block human‐to‐mosquito transmission of malaria parasites. The transmissible gametocytes of Plasmodium falciparum seem to be highly sensitive towards epidrugs, particularly those targeting demethylation of histone post‐translational marks. Here, we report exploration of compounds from a chemical library generated during hit‐to‐lead optimization of inhibitors of the human histone lysine demethylase, KDM4B. Derivatives of 2‐([1,1′‐biphenyl]‐4‐carboxamido) benzoic acid, around either the amide or a sulfonamide linker backbone (2‐(arylcarboxamido)benzoic acid, 2‐carboxamide (arylsulfonamido)benzoic acid and N‐(2‐(1H‐tetrazol‐5‐yl)phenyl)‐arylcarboxamide), showed potent activity towards late‐stage gametocytes (stage IV/V) of P. falciparum, with the most potent compound reaching single digit nanomolar activity. Structure‐activity relationship trends were evident and frontrunner compounds also displayed microsomal stability and favourable solubility profiles. Simplified synthetic routes support further derivatization of these compounds for further development of these series as malaria transmission‐blocking agents.
Predictors of 30‐day and 12‐month mortality in left main stem percutaneous coronary intervention 2016−2020: A study from two UK centers
Authors: Carande Elliott J. , Protty Majd B. , Verhemel Sarah , Hussein Mohammed H. , Raman Ajay S. , UlHaq Zia , Bundhoo Shantu , Cullen James , Ionescu Adrian , Choudhury Anirban , Hussain Hussain I. , Hailan Ahmed 
Published: September 2022

AbstractIntroductionLeft main stem percutaneous coronary intervention (LMS‐PCI) is a complex high‐risk procedure which can be performed as an alternative to coronary artery bypass graft (CABG) procedure in surgical turn‐down patients or where there is equipoise in percutaneous versus surgical strategies. Current guidelines suggest that PCI is an appropriate alternative to CABG in patients with unprotected LMS disease and low SYNTAX score. However, “real world” data on outcomes of LMS‐PCI remain limited. This study aims to quantify and determine predictors of mortality following LMS‐PCI.MethodsUsing local coronary angioplasty registries from two UK centers, all LMS‐PCI cases were identified from 2016 to 2020. Descriptive statistics and multivariate logistic regressions were used to examine the association between baseline and procedural characteristics with 30‐day and 12‐month mortality.ResultsWe identified 484 cases of LMS‐PCI between 2016 and 2020. There was a year‐on‐year increase in the number of LMS‐PCI, the highest being in 2020. Covariates associated with higher 30‐day mortality were age (OR 1.07, 95% CI: 1.02−1.12) and shock preprocedure (OR 23.88, 95% CI: 7.90−72.20). Covariates associated with higher 12‐month mortality were age (OR 1.04, 95% CI: 1.01−1.08), acute coronary syndrome (ACS) (OR 2.50, 95% CI: 1.08−5.80), renal disease (OR 5.24, 95% CI: 1.47−18.68), and shock preprocedure (OR 7.93, 95% CI: 3.30−19.05). Overall, 30‐day and 12‐month mortality in this contemporary data set were 9.5% and 16.7%, respectively, with significantly lower rates in elective cases (p < 0.01).ConclusionsOlder age and cardiogenic shock preprocedure were associated with increased 30‐day mortality after LMS‐PCI. Twelve‐month mortality was associated with older age, ACS presentation, preexisting renal disease, and cardiogenic shock preprocedure.
IgG4‐related disease associated with the primary manifestation of recurrent cerebral venous thrombosis: A rare case report
Authors: Haj Mohamad Ebrahim Ketabforoush Arsh , Bahadorinia Mahsa , Dolatshahi Elahe , Nozarian Zohreh , Abbasi Khoshsirat Nahid 
Published: September 2022

AbstractNervous system involvement in IgG4‐related systemic disease (IgG4‐RD) is rarely reported and manifests as hypertrophic pachymeningitis and hypophysitis. In this report, a 33‐year‐old woman with neurological manifestations was diagnosed with IgG4‐RD by biopsy. The patient showed improvement in symptoms after treatment.
Oral erythema multiforme related to bronchodilators intake: A report of a case
Authors: Garma Maroua , Sioud Sameh , Omami Mounir , Slim Afef , Abdellatif Chokri , Selmi Jamil 
Published: September 2022

AbstractErythema multiforme is a reactive inflammatory mucocutaneous disorder. It is classified into three groups: erythema multiforme minor, major, and oral erythema multiforme. The oral mucosa is mostly involved. The etiology of this lesion varied from bacterial, viral, or fungal infection to drug reaction. The aim was to report a case of oral erythema multiforme related to drug intake, in order to highlight clinical and histological features in addition to therapeutic modalities of drug‐induced oral erythema multiforme. A 74‐year‐old female patient consulted for painful ulcerations in the oral cavity, associated with burning sensation and inability to eat or swallow for the past 8 days. After detailed anamnesis and clinical examination, the diagnosis of oral erythema multiforme related to drug intake was retained. Oral erythema multiforme is a benign inflammatory disorder involving the oral mucosa with pathognomonic clinical and histological features. It may result from viral, bacterial, or fungal infection and from drug intake reaction. The interruption of the implicated molecule associated with symptomatic treatment is the principal therapeutic modalities.
Peutz–Jeghers syndrome revealed by recurrent small bowel intussusceptions in children: A case report
Authors: Rahma Chtourou , Najoua Ben Kraiem , Mohamed Zouari , Manel Mellouli , Rim Dghaies , Mahdi Ben Dhaou , Tahya Sellami Boudawara , Riadh Mhiri 
Published: September 2022

AbstractPeutz–Jeghers syndrome is a rare but potentially life‐threating syndrome. We report here the case of a young girl who presented recurrent small bowel intussusceptions. Laparotomy exploration showed many jejunal polyps leading to jejunojejunal intussusceptions. These were removed via mini enterotomies and pathological examination concluded to Peutz–Jeghers polyps.
Pharmacokinetics and Safety of Vibegron 75 mg Administered as an Intact or Crushed Tablet in Healthy Adults
Authors: King Jennifer , Walker Ann , Aikin Dorothy , Haag‐Molkenteller Cornelia , Kankam Martin 
Published: September 2022

AbstractOral pharmacotherapy for overactive bladder, a condition that increases with age, includes anticholinergics and β3‐adrenergic receptor agonists. Older adults, including those with dysphagia, may have difficulty swallowing tablets. In this phase 1 study in healthy adults, we assessed the pharmacokinetic profile of the β3‐adrenergic receptor agonist vibegron administered as a single 75‐mg dose as an intact tablet versus crushed and mixed with applesauce. Additional end points included safety (assessed by adverse events), perception of taste (assessed via questionnaire), and stability over 4 hours after crushing and mixing in applesauce (assessed by chromatography). Overall, 30 participants were randomized, and 29 were included in the pharmacokinetic analysis. Crushing a vibegron tablet and mixing with applesauce decreased vibegron maximum observed plasma concentration and area under the plasma concentration–time curve from time 0 to infinity by ≈30% and ≈10%, respectively; however, these decreases were not considered clinically significant. Treatment‐emergent adverse events were reported in 16 (53.3%) participants. Approximately half of participants reported the vibegron and applesauce mixture tasted as expected; of those reporting the taste was different than expected, 50% reported the taste as bitter. The mixture was stable for 4 hours in applesauce. The results of this study showed that crushing and administering vibegron with applesauce may be an appropriate option for patients with overactive bladder and swallowing difficulties.
Time series data augmentation method of small sample based on optimized generative adversarial network
Authors: Liu Dongsheng , Wu Yuting , Hong Deyan , Wang Siting 
Published: September 2022

SummaryIn the time series classification task, for the problem that small samples have difficulty in capturing sequence features cause deep learning models have low classification accuracy. This article proposes a time series data augmentation method based on gated recurrent unit (GRU)‐convolutional neural network (CNN) structure of generative adversarial network, denoted as GC‐GAN. Specifically, the structure of GRU network in series with CNN is used as the generator of GAN model, while the discriminator part uses two‐layer convolution network. In order to avoid the disappearance of gradient, Wasserstein distance is used to measure the distance between the generated distribution and the true distribution, and penalties are introduced in the loss function. Finally, the particle swarm algorithm is used to optimize the hidden variable input of the generator to approximate the real sequence to the greatest extent and obtain the best sample. The experimental results on the UCR time series dataset show that the long short‐term memory network classification accuracy has been effectively improved after using the GC‐GAN model, with a maximum improvement of 4.4%, indicating that the method proposed in this article has better data augmentation capabilities.
X‐ray Absorption Spectroscopy for the Characterization of Photoinduced Linkage Isomers in Single Crystals: Experimental Setup and XANES Results**
Authors: Kamgne Duclair Tchana , Sendja Bridinette Thiodjio , de Souza Danilo Oliveira , Woike Theo , Aquilanti Giuliana , Schaniel Dominik 
Published: September 2022

AbstractPhotoinduced linkage isomers (PLI) of the nitrosyl ligand in single crystals of Na2[Fe(CN)5NO] ⋅ 2H2O (SNP, sodium nitroprusside) have been studied by X‐ray absorption spectroscopy (XAS) at low temperatures, using a cryostat allowing in‐situ polarized LASER irradiation and XAS measurements. In the XANES (X‐ray absorption near edge structure) region a significant modification of the pre‐edge peak intensities is observed after irradiation of the ground state (GS) nitrosyl NO‐κN isomer with light in the blue and infrared spectral range, used for the generation of the isonitrosyl NO‐κO isomer (MS1) and the side‐on bound κ2N,O isomer (MS2), respectively. These observations are interpreted with respect to the changes in the nature of the frontier (unoccupied) molecular orbitals of the different linkage isomer configurations, expected from earlier calculations.
Precision medicine and personalized approach in vitiligo
Authors: Ahuja Rhea , Narayanan B. , Gupta Somesh 
Published: September 2022

AbstractPrecision medicine involves stratification of patients based on clinical, lifestyle, genetic, and biomarker information to decide further treatment and prognosticate, moving beyond classical “signs‐and‐symptoms” approach. This evolving concept is gaining ground in the management of various dermatological diseases like psoriasis, atopic dermatitis, urticaria and pemphigus; however it is relatively in its infancy with respect to its application in vitiligo. This review aims to highlight the role of precision medicine in vitiligo, with a focus on genetic makeup, immunological factors, clinical subtypes, disease biomarkers, and dermoscopic signs in predicting therapeutic response to medical or surgical modalities, including light therapy.
Epigaeic spider response to sagebrush steppe restoration treatments
Authors: McIver James D. , Brandt Ruth 
Published: September 2022

AbstractEpigaeic (ground‐active) spiders are dominant predators of arthropods and are important prey for vertebrates in sagebrush steppe systems. As part of the Sagebrush Steppe Treatment Evaluation Project (SageSTEP), the response of epigaeic spiders to sagebrush steppe restoration treatments was evaluated. Spiders were pitfall trapped pre‐treatment and for up to 7 years post‐treatment at 20 sites in the interior western United States. Spider species, functional groups, and communities were analyzed as regards site conditions and in response to treatments (prescribed fire, mechanical, and herbicide) designed to restore sagebrush steppe lands encroached by piñon–juniper woodlands (Pinus and Juniperus spp.) and invaded by cheatgrass (Bromus tectorum). A total of 10,149 epigaeic spiders were caught during the 8‐year sampling period (2006–2014), comprising 18 families, 51 genera, and 109 species. Ten species are currently undescribed, including two species of jumping spiders (Salticidae), two species of funnel spiders (Agelenidae), and a species of trapdoor spider (Euctenizidae). Nearly 70% of adult catch comprised the 10 most commonly collected species; 50 species were caught fewer than five times. Spiders of the family Gnaphosidae (ground spiders) dominated the collection (65% of adults), followed by wolf spiders (Lycosidae; 12%), jumping spiders (8%), and crab spiders (Thomisidae; 4%). Fewer gnaphosids were caught in plots with higher tree cover, and this pattern was reversed by tree removal. There was no significant epigaeic spider response to the broadleaf herbicide tebuthiuron, nor to mowing or clear‐cutting. Mastication caused a subtle increase in epigaeic spider richness at Utah juniper sites. Prescribed fire decreased abundance and richness of epigaeic spiders in the short term (1 year post‐treatment), with catch at most sites converging to control levels by Year 2 post‐treatment; application of the annual herbicide imazapic at treeless sites may have amplified this effect slightly in the short term. In general, gnaphosid catch and richness closely paralleled litter and bunchgrass cover. These patterns suggest that while gnaphosid spiders are not sagebrush‐obligate species per se, these spiders prefer habitat conditions that provide more hiding cover, in the form of litter and vegetation, found more often in treeless sagebrush steppe plant communities and in woodland communities that have relatively lower tree cover.