bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Diversity and Argentophilic Interactions in Small Phosphine Silver(I) Thiolate Clusters
Authors: Caballero‐Muñoz Alejandra , Guevara‐Vela José Manuel , Fernández‐Alarcón Alberto , Valentín‐Rodríguez Mónica A. , Flores‐Álamo Marcos , Rocha‐Rinza Tomás , Torrens Hugo , Moreno‐Alcántar Guillermo 
Published: May 2021

AbstractSilver(I) coordination compounds display an interesting geometrical diversity, the possibility of having distinct coordination numbers (typically from 2 to 4) and the capability of forming argentophilic (Ag⋅⋅⋅Ag) interactions. These properties complicate the accurate prediction of structures of silver complexes under certain experimental conditions. In this work, we show how subtle modifications in thiolate and phosphine ligands exert important effects on the nuclearity and geometry of phosphine caped clusters [Ag(SR)]n(n=4, 6 and 8). We rationalize these effects in terms of the electronic environment of silver centers by analyzing the electronic density of the single‐crystal X‐ray structures via the Quantum Theory of Atoms in Molecules (QTAIM) and the Non‐Covalent Interaction (NCI)‐Index. Furthermore, we characterized attractive and repulsive argentophilic contacts by means of the Interacting Quantum Atoms (IQA) energy partition. Our results provide insights on the effects of ancillary ligands in controlling the structure of silver‐thiolate clusters. Such control is relevant towards a bottom‐up approach to the atomic precise construction of higher nuclearity clusters.
Prevalence and associated factors of depression among older adults in rural Tanzania
Authors: Mlaki Damas Andrea , Asmal Laila , Paddick Stella‐Maria , Gray William K. , Dotchin Catherine , Walker Richard 
Published: May 2021

AbstractObjectivesDepression is the commonest mental disorder in older adults worldwide, affecting 7% of the world’s older population and accounting for 5.7% of years lived with disability among adults aged over 60 years. We conducted a secondary data analysis to determine the point prevalence, associated risk factors and treatment gap for DSM‐IV depression among older adults in the Hai District, rural Tanzania.MethodsThe primary data source was a cross‐sectional two‐stage community‐based dementia study where older adults aged ≥70 years (n = 296) were fully‐assessed for dementia and depression in the second stage. Age‐adjusted prevalence of depression was determined based on the WHO standard population using the Direct Method. Univariate and multivariate logistic regression models were performed.ResultsOf the 296 older adults assessed for depression, 48 were diagnosed with depression based on Diagnostic and Statistical Manual of Mental Disorders‐IV criteria. The median (Inter Quartile Range; QR) age was 80 (75–88) years. Age‐adjusted point prevalence of depression was 21.2% (95% CI: 16.6–21.9) and the treatment gap for depression was 100%. There was reduced odds of depression in older adults who rated their physical health as good or very good (adjusted odds ratio [AOR] = 0.22; 95%CI: 0.10–0.46; p < 0.001), or moderate (AOR 0.26; 95%CI: 0.10–0.66; p = 0.005).ConclusionsDepression in older adults is associated with physical health status and there is an alarmingly high treatment gap. Future research on depression in older adults should focus on effective interventions to address physical morbidity, psychosocial factors and the treatment gap.
Population norms for quality adjusted life years for the United States of America, China, the United Kingdom and Australia
Authors: Palmer Andrew J. , Campbell Julie A. , de Graaff Barbara , Devlin Nancy , Ahmad Hasnat , Clarke Philip M , Chen Mingsheng , Si Lei 
Published: May 2021

AbstractHealth economics uses quality adjusted life years (QALYs) to help healthcare decision makers. However, unlike life expectancy for which age‐ and sex‐dependent national life tables are available, no general population norms exist to use as a benchmark against which to compare observed or modeled projections of QALYs in sub‐populations or patients. We developed a 2‐state Markov model to generate QALY population norms for the USA, UK, China and Australia. Annual age‐ and sex‐specific probabilities of all‐cause mortality were taken from life tables combined with general population country‐specific age‐ and sex‐specific health state utilities for the EQ‐5D‐3L (all countries); and SF‐6D (Australia) multi‐attribute utility instruments (MAUI). To validate our QALY benchmark model we found that the model closely predicted population life expectancies. Using EQ‐5D‐3L, undiscounted QALYs for males/females aged 18 years ranged 54.62/58.90 (USA), 55.55/60.21 (China), 57.11/60.16 (Australia), and 58.01/61.43 (UK) years. SF‐6D benchmark QALYs for Australia were consistently lower than those generated from the EQ‐5D‐3L. The gap in undiscounted QALYs between the UK (highest) and the USA (lowest) was 2.53 QALYs in women and 3.39 QALYs in men aged 18 years. Our model's QALY population norms can be used for internal validation of future health economic models for the country‐specific value sets for the instruments that we adopted, and when quantifying burden of disease in terms of QALYs lost due to illness compared to the general population. We have created a publicly available repository to continuously include QALY benchmarks that use country‐specific value sets for other MAUIs and life expectancies.
From landfills to landscapes—Nature-based solutions for water management taking into account legacy contamination
Authors: Hale Sarah E. , Folde Marja S. , Melby Unni H. , Sjødahl Elisabeth U. , Smebye Andreas B. , Oen Amy M. P. 
Published: May 2021

Abstract
Nature-based solutions (NBS) can be used in combination with the reopening of piped rivers to support area development. In certain cases, piped rivers can run through disused landfills. This presents a complicating factor because landfills provide the possibility for river water to be contaminated by waste. In Skien municipality, close to Oslo, Norway, NBS are being considered as part of a potential reopening of the Kjørbekk stream. A 4-km stretch of the stream is contained in an aging pipe infrastructure that is buried under two disused landfills. The pipe infrastructure does not have the physical capacity to cope with an increase in precipitation brought about by current climate change, and in certain areas, the pipe has started to leak. This means that surface water runoff that cannot be accommodated by the pipe, as well as water that leaks from the pipe, can become contaminated by the waste in the disused landfill. Furthermore, the water can be transported with the stream course to the final recipient, taking the contamination with it. Reopening the stream and providing new water pathways can alleviate these problems, but it must be carried out so that contamination is not allowed to spread. This case study reveals how certain NBS that focus on reducing the amount of water in contact with pollutants, reducing the amount of particle spreading, remediating contaminated water, and remediating contaminated soil could be implemented at the site and function as a catalyst for an incremental city development. Integr Environ Assess Manag 2022;18:99–107. © 2021 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).
KEY POINTS
The Kjørbekk stream in Norway runs through an old pipe infrastructure, which is unable to accommodate the increase in rainfall predicted via climate change. The pipe runs through two disused landfill sites, which were built without bottom membranes, and waste in the landfill has the potential to contaminate excess rainfall water that it comes into contact with. Nature-based solutions are being considered in combination with reopening of the Kjørbekk stream, however they must ensure that the pollutants are not mobilized and do not result in a wider area becoming contaminated.
A first‐in‐class, first‐in‐human, phase I trial of CIGB‐552, a synthetic peptide targeting COMMD1 to inhibit the oncogenic activity of NF‐κB in patients with advanced solid tumors
Authors: Vallespi Maribel G. , Mestre Braulio , Marrero Maria A. , Uranga Rolando , Rey Diana , Lugiollo Martha , Betancourt Mircea , Silva Kirenia , Corrales Danay , Lamadrid Yanet , Rodriguez Yamilka , Maceo Anaelys , Chaviano Pedro P. , Lemos Gilda , Cabrales Ania , Freyre Freya M. , Santana Hector , Garay Hilda E. , Oliva Brizaida , Fernandez Julio R. 
Published: May 2021

AbstractCIGB‐552 is a synthetic peptide that interacts with COMMD1 and upregulates its protein levels. The objectives of this phase I study were safety, pharmacokinetic profile, evaluation of the lymphocytes CD4+ and CD8+ and preliminary activity in patients with advanced tumors. A 3 + 3 dose‐escalation design with seven dose levels was implemented. Patients were included until a grade 3 related adverse event occurred and the maximum tolerated dose was reached. The patients received subcutaneous administration of CIGB‐552 three times per week for 2 weeks. Single‐dose plasma pharmacokinetics was characterized at two dose levels, and tumor responses were classified by RECIST 1.1. Twenty‐four patients received CIGB‐552. Dose‐limiting toxicity was associated with a transient grade 3 pruritic maculopapular rash at a dose of 7.0 mg. The maximum tolerated dose was defined as 4.7 mg. Ten patients were assessable for immunological status. Seven patients had significant changes in the ratio CD4/CD8 in response to CIGB‐552 treatment; three patients did not modify the immunological status. Stable disease was observed in five patients, including two metastatic soft sarcomas. We conclude that CIGB‐552 at dose 4.7 mg was well tolerated with no significant adverse events and appeared to provide some clinical benefits.
Trastuzumab in combination with 5‐fluorouracil, leucovorin, oxaliplatin and docetaxel as perioperative treatment for patients with human epidermal growth factor receptor 2‐positive locally advanced esophagogastric adenocarcinoma: A phase II trial of the Arbeitsgemeinschaft Internistische Onkologie Gastric Cancer Study Group
Authors: Hofheinz Ralf‐Dieter , Hegewisch‐Becker Susanne , Kunzmann Volker , Thuss‐Patience Peter , Fuchs Martin , Homann Nils , Graeven Ullrich , Schulte Nadine , Merx Kirsten , Pohl Michael , Held Swantje , Keller Ralph , Tannapfel Andrea , Al‐Batran Salah‐Eddin 
Published: May 2021

AbstractPerioperative chemotherapy with 5‐fluorouracil, leucovorin, oxaliplatin and docetaxel (FLOT) is a mainstay in the treatment of esophagogastric adenocarcinomas (EGA). Trastuzumab improved survival when added to chemotherapy in patients with HER‐2‐positive metastatic EGA. We investigated the combination of trastuzumab and FLOT as perioperative treatment in patients with locally advanced EGA. A multicenter phase II study evaluated the efficacy and toxicity of perioperative FLOT (24‐hours 5‐FU 2600 mg/m2, leucovorin 200 mg/m2, oxaliplatin 85 mg/mg2, docetaxel 50 mg/m2, trastuzumab 6 mg/kg then 4 mg/kg d1, repeated d15 for four cycles preoperatively and postoperatively followed by 9 cycles of trastuzumab monotherapy) in patients with HER‐2 positive EGA. Patients had ≥cT2, any N, M0 EGA. The primary endpoint was the rate of centrally assessed pathological complete response (pCR). Secondary endpoints comprised disease‐free (DFS) and overall survival (OS), R0 resection rate, toxicity and surgical morbidity. Fifty‐six evaluable patients (median age 62 years) were included; n = 40 had tumors originating from the esophagogastric junction; T stage was (cT2/3/4/unknown): 4/42/8/2; n = 50 patients had cN+ disease. Main adverse events grades 3‐4: leukopenia (17.9%), neutropenia (46.6%) and diarrhea (17.0%). All patients underwent tumor resections. R0 resection rate was 92.9%. Eight patients had anastomotic leakage. One postoperative death occurred. pCR was found in 12 patients (21.4%) and a further n = 14 patients (25.0%) had near complete response. Median DFS was 42.5 months and the 3‐year OS rate was 82.1%. The primary endpoint of achieving a pCR >20% was reached. No unexpected safety issues were observed. Survival data are promising.
Unveiling gas‐phase oxidative coupling of methane via data analysis
Authors: Ishioka Sora , Miyazato Itsuki , Takahashi Lauren , Nguyen Thanh Nhat , Taniike Toshiaki , Takahashi Keisuke 
Published: May 2021

AbstractUnveiling the details of the mechanisms of a chemical reaction is a difficult task as reaction mechanisms are strongly coupled with reaction conditions. Here, catalysts informatics combined with high‐throughput experimental data is implemented to understand the oxidative coupling of methane (OCM) reaction. In particular, pairwise correlation and data visualization are performed to reveal the relation between reaction conditions and selectivity/conversion. In addition, machine learning is used to fill the gap between experimental data points; thus, a more detailed understanding of the OCM reaction against reaction conditions can be achieved. Therefore, catalysts informatics is proposed for understanding the details of the reaction mechanism, thereby aiding reaction design.
Population Pharmacokinetics of Olanzapine and Samidorphan When Administered in Combination in Healthy Subjects and Patients With Schizophrenia
Authors: Sun Lei , Mills Richard , Sadler Brian M. , Rege Bhaskar 
Published: May 2021

AbstractA combination of olanzapine and samidorphan was recently approved by the US Food and Drug Administration for the treatment of patients with schizophrenia or bipolar I disorder. Population pharmacokinetic models for olanzapine and samidorphan were developed using data from 11 clinical studies in healthy subjects or patients with schizophrenia. A 2‐compartment disposition model with first‐order absorption and elimination and a lag time for absorption adequately described concentration‐time profiles of both olanzapine and samidorphan. Age, sex, race, smoking status, and body weight were identified as covariates that impacted the pharmacokinetics of olanzapine. A moderate effect of body weight on samidorphan pharmacokinetics was identified by the model but was not considered clinically meaningful. The effects of food, hepatic or renal impairment, and coadministration with rifampin on the pharmacokinetics of olanzapine and samidorphan, as estimated by the population pharmacokinetic analysis, were consistent with findings from dedicated clinical studies designed to evaluate these specific covariates of interest. Food intake did not have a clinically relevant effect on the pharmacokinetics of olanzapine or samidorphan. Consistent with the known metabolic pathways for olanzapine (primarily via uridine 5′‐diphospho‐glucuronosyltransferase–mediated direct glucuronidation and cytochrome P450 [CYP]‐mediated oxidation) and for samidorphan (predominantly mediated by CYP3A4), coadministration of olanzapine and samidorphan with rifampin, a strong inducer of CYP3A4 and an inducer of uridine 5′‐diphospho‐glucuronosyltransferase enzymes, significantly decreased the systemic exposure of both olanzapine and samidorphan. Severe renal impairment or moderate hepatic impairment resulted in a modest increase in olanzapine and samidorphan exposure.
Urinary extracellular vesicles: A position paper by the Urine Task Force of the International Society for Extracellular Vesicles
Authors: Erdbrügger Uta , Blijdorp Charles J. , Bijnsdorp Irene V. , Borràs Francesc E. , Burger Dylan , Bussolati Benedetta , Byrd James Brian , Clayton Aled , Dear James W. , Falcón‐Pérez Juan M. , Grange Cristina , Hill Andrew F. , Holthöfer Harry , Hoorn Ewout J. , Jenster Guido , Jimenez Connie R. , Junker Kerstin , Klein John , Knepper Mark A. , Koritzinsky Erik H. , Luther James M. , Lenassi Metka , Leivo Janne , Mertens Inge , Musante Luca , Oeyen Eline , Puhka Maija , van Royen Martin E. , Sánchez Catherine , Soekmadji Carolina , Thongboonkerd Visith , van Steijn Volkert , Verhaegh Gerald , Webber Jason P. , Witwer Kenneth , Yuen Peter S.T. , Zheng Lei , Llorente Alicia , Martens‐Uzunova Elena S. 
Published: May 2021

AbstractUrine is commonly used for clinical diagnosis and biomedical research. The discovery of extracellular vesicles (EV) in urine opened a new fast‐growing scientific field. In the last decade urinary extracellular vesicles (uEVs) were shown to mirror molecular processes as well as physiological and pathological conditions in kidney, urothelial and prostate tissue. Therefore, several methods to isolate and characterize uEVs have been developed. However, methodological aspects of EV separation and analysis, including normalization of results, need further optimization and standardization to foster scientific advances in uEV research and a subsequent successful translation into clinical practice. This position paper is written by the Urine Task Force of the Rigor and Standardization Subcommittee of ISEV consisting of nephrologists, urologists, cardiologists and biologists with active experience in uEV research. Our aim is to present the state of the art and identify challenges and gaps in current uEV‐based analyses for clinical applications. Finally, recommendations for improved rigor, reproducibility and interoperability in uEV research are provided in order to facilitate advances in the field.
Success rate of microsatellite instability examination and complete response with pembrolizumab in biliary tract cancer
Authors: Kai Yugo , Ikezawa Kenji , Takada Ryoji , Daiku Kazuma , Maeda Shingo , Abe Yutaro , Yamai Takuo , Fukutake Nobuyasu , Nakabori Tasuku , Uehara Hiroyuki , Nagata Shigenori , Wada Hiroshi , Ohkawa Kazuyoshi 
Published: May 2021

AbstractBackground and AimThe success rate of microsatellite instability (MSI) examination in biliary tract cancer (BTC) and the treatment outcomes of pembrolizumab in patients with MSI‐high (MSI‐H) BTC have not been fully investigated. We examined the success rate of MSI examination and the rate of MSI‐H status in patients with BTC as well as the treatment outcomes of patients with MSI‐H status who underwent pembrolizumab treatment.MethodsWe retrospectively reviewed 60 consecutive patients with unresectable or postoperative recurrent BTC who underwent MSI examination in a Japanese cancer referral center between January 2019 and September 2020.ResultsThe study included 24 intrahepatic cholangiocarcinomas, 12 hilar cholangiocarcinomas, 4 distal cholangiocarcinomas, 16 gallbladder carcinomas, and 4 ampullary carcinomas. The methods of cancer tissue sampling were percutaneous liver tumor biopsy in 26 cases, surgery in 15 cases, endoscopic ultrasound fine‐needle aspiration in 12 cases, transpapillary bile duct biopsy in 5 cases, and others in 2 cases. The success rate of MSI examination was 98.3% (59 of 60). MSI examination failed in only one case using a surgical specimen due to time‐dependent degradation of DNA. The frequency of MSI‐H BTC was 3.3% (2 of 60 cases). One patient with MSI‐H intrahepatic cholangiocarcinoma achieved a complete response with pembrolizumab treatment.ConclusionsMSI examinations in BTC were successful in almost all cases, regardless of tissue sampling methods. We experienced a case in which pembrolizumab resulted in a complete response to MSI‐H BTC. Since pembrolizumab for MSI‐H BTC could prolong survival time, MSI examination should be performed proactively to increase treatment options.
Greedoids from flames
Authors: Joó Attila 
Published: May 2021

AbstractA digraph with is an ‐flame if for every , the in‐degree of is equal to the local edge‐connectivity . We show that for every digraph and , the edge sets of the ‐flame subgraphs of form a greedoid. Our method yields a new proof of Lovász's theorem stating: for every digraph and , there is an ‐flame subdigraph of such that for . We also give a strongly polynomial algorithm to find such an working with a fractional generalization of Lovász's theorem.
Imperfect adherence in real life: a prevention‐effective perspective on adherence to daily and event‐driven HIV pre‐exposure prophylaxis among men who have sex with men – a prospective cohort study in Taiwan
Authors: Wu Huei‐Jiuan , Wen‐Wei Ku Stephane , Chang Howard H. , Li Chia‐Wen , Ko Nai‐Ying , Strong Carol 
Published: May 2021

AbstractIntroductionBoth daily and event‐driven (ED) pre‐exposure prophylaxis (PrEP) have been demonstrated to be highly effective among men who have sex with men (MSM). Prevention‐effective adherence proposes that PrEP adherence should be aligned with the risk of HIV, which could be applied to both daily and ED PrEP adherence measurement. The objective of this study was to describe the relationship between the use of PrEP and sex events among the MSM PrEP users and identify factors associated with adherence among daily and ED MSM PrEP users.MethodsA multicentre, observational, prospective cohort study was conducted at three hospital‐based clinics in three urban cities of Taiwan from January 2018 to December 2019. MSM ages 18 years or older – at high risk of HIV acquisition and taking PrEP during the study period – were included in the analysis. MSM PrEP users were allowed to choose between daily and ED PrEP based on their preference. Data on sociodemographic characteristics, mental health, sexual behaviours, substance use and PrEP‐taking behaviours were collected at each visit.ResultsA total of 374 MSM were included in the analysis with 1,054 visits. More than half (56%) of the PrEP users chose ED at the baseline and 150 regimen switches were reported by 21% of the participants. There was only one seroconversion documented during the study period. Most (84.2%) of the MSM PrEP users were able to adhere to PrEP during the most recent anal intercourse in the past one month. Among ED PrEP users with suboptimal adherence, the majority (81.9%) missed the pre‐coital dose. In the multivariable analysis, we found that participants who switched from daily to an ED dosing regimen were associated with poorer adherence to PrEP.ConclusionsA high level of PrEP adherence was observed among the majority of MSM in a real‐world setting. On the other hand, Taiwanese MSM switching from daily to ED dosing regimens were less likely to adhere to PrEP, suggesting that novel approaches focusing on a dosing switch would be necessary for MSM to improve their adherence to PrEP.