bluuebunny/crossref_metadata_2025 huggingface dataset:
Dauerhaftigkeitseigenschaften von alternativen Bindemitteln
Authors: Achenbach Rebecca , Kraft Bettina , Ludwig Horst‐Michael , Raupach Michael
Published: August 2021

Vor dem Hintergrund der Klimadebatte werden zur Reduzierung des CO2‐Austoßes vermehrt Alternativen zu Portlandzement als Bindemittel im Beton entwickelt. An diese alternativen Bindemittel werden die gleichen Ansprüche hinsichtlich ihrer Dauerhaftigkeit wie an Portlandzement gestellt. In der vorliegenden Studie wurden Mörtel mit Bindemittel aus den Bindemittelgruppen Portlandzemente, Kompositzemente, CSA‐Zemente, alkaliaktivierte Bindemittel sowie Niedrigtemperatur C‐S‐H‐Binder hinsichtlich ihres Carbonatisierungs‐ und Chlorideindringwiderstands untersucht. Dabei wurden Analysen zu dem pH‐Wert der Porenlösungen, dem Porenvolumen sowie dem Grenzradius mit in die Betrachtungen einbezogen. Es wurde festgestellt, dass für die ausgewählten alternativen Bindemittel die für Portlandzement bekannten Zusammenhänge zwischen Materialeigenschaften und Eindringverhalten von Chlorid und CO2 nur mit Einschränkungen gelten. So konnte zwar ein genereller Zusammenhang zwischen Chloridmigrationskoeffizient und Porenvolumen bestätigt werden. Bei dem Carbonatisierungsfortschritt war dieser Zusammenhang allerdings nicht feststellbar. Im Gegensatz zu konventionellen Zementen konnte kein allgemeingültiger Zusammenhang zwischen dem pH‐Wert und der Carbonatisierungstiefe nachgewiesen werden.
The resilience of green firms in the twirl of COVID‐19: Evidence from S&P500 Carbon Efficiency Index with a Fourier approach
Authors: Koçak Emrah , Bulut Umit , Menegaki Angeliki N.
Published: August 2021

This paper investigates the resilience of environmentally friendly companies in an overwhelming economic and social environment that has been generated after the outbreak of the novel coronavirus disease (COVID‐19) pandemic. To this respect, we have investigated the cointegration between the Standard & Poor's (S&P) 500 Carbon Efficiency Index (CEI) with COVID‐19 cases, supplemented with covariates such as government response stringency to the pandemic, economic policy uncertainty, oil prices and global markets fluctuations. We have used daily data from 2nd January to 5th October 2020 and have employed a robust estimator within a Fourier approach to accommodate both sharp and smooth breaks. Our results suggest that green companies have been positively affected by the outbreak of COVID‐19. Our paper provides practical implications for companies that wish to furnish themselves with resilience during rough times and stakeholders who wish to invest in safe, long‐lasting returns.
Novel nanofibrous membrane‐supporting stem cell sheets for plasmid delivery and cell activation to accelerate wound healing
Authors: Zhu Yanxia , Liao Yuqi , Zhang Yuanyuan , Shekh Mehdihasan I. , Zhang Jianhao , You Ziyang , Du Bing , Lian Cuihong , He Qianjun
Published: August 2021

The integration of biomaterials with cells for high overall performances is vitally important in tissue engineering, as scaffold‐free cell sheet lacks enough mechanical performance and cell viability while cell‐free scaffold possesses limited biological functions. In this study, we propose a new strategy to strengthen cell sheets and enhance cell activity for accelerating wound healing based on a novel sandwich structure of cell sheet‐plasmid@membrane‐cell sheet (CpMC). Specifically, the CpMC contains two adipose‐derived stem cell (ADSC) sheets on outer surfaces and an electrospun gelatin/chitosan nanofibrous membrane (NFM) encapsulating vascular endothelial growth factor (VEGF) plasmids in between. The physicochemical properties of NFM including swelling, stiffness, strength, elasticity, and biodegradation can be tailored by simply adjusting the ratio between gelatin and chitosan to be 7:3 which is optimal for most effectively supporting ADSCs adhesion and proliferation. The swelling/biodegradation of NFM mediates the sustained release of encapsulated VEGF plasmids into adjacent ADSCs, and NFM assists VEGF plasmids to promote the differentiation of ADSCs into endothelial, epidermal, and fibroblast cells, in support of the neoangiogenesis and regeneration of cutaneous tissues within 2 weeks. The proposed membrane‐supporting cell sheet strategy provides a new route to tissue engineering, and the developed CpMC demonstrates a high potential for clinical translation.
Harness the functions of gut microbiome in tumorigenesis for cancer treatment
Authors: Lee Mong‐Hong
Published: August 2021

It has been shown that gut microbiota dysbiosis leads to physiological changes and links to a number of diseases, including cancers. Thus, many cancer categories and treatment regimens should be investigated in the context of the microbiome. Owing to the availability of metagenome sequencing and multiomics studies, analyses of species characterization, host genetic changes, and metabolic profile of gut microbiota have become feasible, which has facilitated an exponential knowledge gain about microbiota composition, taxonomic alterations, and host interactions during tumorigenesis. However, the complexity of the gut microbiota, with a plethora of uncharacterized host‐microbe, microbe‐microbe, and environmental interactions, still contributes to the challenge of advancing our knowledge of the microbiota‐cancer interactions. These interactions manifest in signaling relay, metabolism, immunity, tumor development, genetic instability, sensitivity to cancer chemotherapy and immunotherapy. This review summarizes current studies/molecular mechanisms regarding the association between the gut microbiota and the development of cancers, which provides insights into the therapeutic strategies that could be harnessed for cancer diagnosis, treatment, or prevention.
Trends in cancer imaging by indication, care setting, and hospital type during the COVID‐19 pandemic and recovery at four hospitals in Massachusetts
Authors: Zattra Ottavia , Fraga Anthony , Lu Nancy , Gee Michael S. , Liu Raymond W. , Lev Michael H. , Brink James A. , Saini Sanjay , Lang Min , Succi Marc D.
Published: August 2021

Background

We aimed to investigate the effects of COVID‐19 on computed tomography (CT) imaging of cancer.

Methods

Cancer‐related CTs performed at one academic hospital and three affiliated community hospitals in Massachusetts were retrospectively analyzed. Three periods of 2020 were considered as follows: pre‐COVID‐19 (1/5/20–3/14/20), COVID‐19 peak (3/15/20–5/2/20), and post‐COVID‐19 peak (5/3/20–11/14/20). 15 March 2020 was the day a state of emergency was declared in MA; 3 May 2020 was the day our hospitals resumed to non‐urgent imaging. The volumes were assessed by (1) Imaging indication: cancer screening, initial workup, active cancer, and surveillance; (2) Care setting: outpatient and inpatient, ED; (3) Hospital type: quaternary academic center (QAC), university‐affiliated community hospital (UACH), and sole community hospitals (SCHs).

Results

During the COVID‐19 peak, a significant drop in CT volumes was observed (−42.2%, p < 0.0001), with cancer screening, initial workup, active cancer, and cancer surveillance declining by 81.7%, 54.8%, 30.7%, and 44.7%, respectively (p < 0.0001). In the post‐COVID‐19 peak period, cancer screening and initial workup CTs did not recover (−11.7%, p = 0.037; −20.0%, p = 0.031), especially in the outpatient setting. CT volumes for active cancer recovered, but inconsistently across hospital types: the QAC experienced a 9.4% decline (p = 0.022) and the UACH a 41.5% increase (p < 0.001). Outpatient CTs recovered after the COVID‐19 peak, but with a shift in utilization away from the QAC (−8.7%, p = 0.020) toward the UACH (+13.3%, p = 0.013). Inpatient and ED‐based oncologic CTs increased post‐peak (+20.0%, p = 0.004 and +33.2%, p = 0.009, respectively).

Conclusions

Cancer imaging was severely impacted during the COVID‐19 pandemic. CTs for cancer screening and initial workup did not recover to pre‐COVID‐19 levels well into 2020, a finding that suggests more patients with advanced cancers may present in the future. A redistribution of imaging utilization away from the QAC and outpatient settings, toward the community hospitals and inpatient setting/ED was observed.
Digitalisisierung der Arbeitswelt
Authors: Makowski Christina
Published: August 2021

Das Zusammenspiel von Mensch, Technik und Organisation verändert sich durch den digitalen Wandel in vielen Bereichen und auf diversen Ebenen. Seit Ende 2018 wurden im it's OWL Projekt Aware die Folgen der Digitalisierung in der Arbeitswelt aus möglichst vielen Blickwinkeln betrachtet.
VDI Fachbeirat “Betriebsingenieure” stellt sich neu auf
Authors: Woppowa rer. nat. Ljuba
Published: August 2021

Dr. Christian Poppe ist neuer Vorsitzender des VDI‐Fachbereichs GVC03 „Betrieb verfahrenstechnischer Anlagen“, der fachlichen Heimat der Betriebsingenieure im VDI. Zur stellvertretenden Vorsitzenden wurde Frau Dr. Alba Mena Subiranas gewählt.
Zugänglich und nutzbar
Authors: Lanzinger Claudia
Published: August 2021

Siemens Digital Industries Software nutzt die Low‐Code‐Anwendungsentwicklungsplattform Mendix, um Kunden aus unterschiedlichen Branchen bei der Erstellung kontextbezogener und personalisierter Anwendungen zu unterstützen und ihnen datengestützte Entscheid
Regelwerk für die Gefahrstofflagerung gibt Hilfe für die Praxis
Authors: Großholz Jürgen
Published: August 2021

Ob Handwerksunternehmen, Industriefirmen, Kommunalbetriebe oder Forschungseinrichtungen – alle, die in ihrem betrieblichen Alltag mit Gefahrstoffen zu tun haben, müssen auf das Regelwerk der TRGS 510 zurückgreifen. Durch die Bekanntmachung im Gemeinsamen Ministerialblatt (GMBI) erlangte die Novelle der „Technische Regeln für Gefahrstoffe (TRGS) 510“ im Februar 2021 deutschlandweit seine Gültigkeit.
Modulation of Microstructure and Charge Transport in Polymer Monolayer Transistors by Solution Aging
Authors: Lin Xuemei , Liu Ruochen , Ding Chenming , Deng Junyang , Guo Yifu , Long Shibing , Li Ling , Li Mengmeng
Published: August 2021

Main observation and conclusion

A few monolayers of organic semiconductors adjacent to the dielectric layer are of vital importance in organic field‐effect transistors due to their dominant role in charge transport. In this report, the 2‐nm‐thick polymer monolayers based on poly(3‐hexylthiophene) with different molecular weights (Mn) were fabricated using dip‐coating technique. During the monolayer (solid state) formation from the solution, a disorder‐to‐order transition of polymer conformation is observed through UV‐vis absorption measurement. Meanwhile, high Mn polymer monolayer generates higher crystalline fibrillar microstructure than the low Mn one due to the stronger π–π intermolecular packing between polymers. More importantly, the solution aging procedure is utilized to further improve the morphology of polymer monolayers. It is obvious that after aging for 6 d, both fiber dimension and density as well as conjugation length are significantly increased under the same processing conditions in comparison to the fresh solution, and consequently the field‐effect mobilities are remarkably enhanced by 2—4 times. Note that the maximum mobility of 0.027 cm2·V–1·s–1 is among the highest reported values for poly(3‐hexylthiophene) monolayer transistors. These results demonstrate a simple but powerful strategy for boosting the device performance of polymer monolayer transistors.
Nested doubly robust estimating equations for causal analysis with an incomplete effect modifier
Authors: Diao Liqun , Cook Richard J.
Published: August 2021

Inference regarding exposure effects within subgroups of individuals and regarding the effect‐modifying role of some covariates plays a central role in research on stratified medicine. Large administrative databases offer an appealing basis for investigating these questions but causal inference can be challenging due to confounding and missing data. We consider the setting where subgroups are defined by the value of an incompletely observed potential effect modifier. We first formulate simple doubly inverse probability‐weighted estimating equations involving one weight to facilitate causal inference with complete data and another weight to adjust for the fact that the effect modifier is only partially observed. We then develop a nested doubly robust (NDR) estimating function which is shown to yield more efficient and robust estimators. In simulation studies, both approaches are shown to yield valid inference in finite samples, but the advantages of the NDR estimators are evident when one or more of the auxiliary models are misspecified. An application to a study of the effect of biological therapy on inflammation in a rheumatology cohort is given for illustration.
Prognostic implications of biventricular strain measurement in COVID‐19 patients by speckle‐tracking echocardiography
Authors: Khani Mohammad , Tavana Sasan , Tabary Mohammadreza , Naseri Kivi Zahra , Khaheshi Isa
Published: August 2021

Background

Recent reports have indicated the beneficial role of strain measurement in COVID‐19 patients.

Hypothesis

To determine the association between right and left global longitudinal strain (RVGLS, LVGLS) and COVID‐19 patients' outcomes.

Methods

Hospitalized COVID‐19 patients between June and August 2020 were included. Two‐dimensional echocardiography and biventricular global longitudinal strain measurement were performed. The outcome measure was defined as mortality, ICU admission, and need for intubation. Appropriate statistical tests were used to compare different groups.

Results

In this study 207 patients (88 females) were enrolled. During 64 ± 4 days of follow‐up, 22 (10.6%) patients died. Mortality, ICU admission, and intubation were significantly associated with LVGLS and RVGLS tertiles. LVGLS tertiles could predict poor outcome with significant odds ratios in the total population (OR = 0.203, 95% CI: 0.088–0.465; OR = 0.350, 95% CI: 0.210–0.585; OR = 0.354, 95% CI: 0.170–0.736 for mortality, ICU admission, and intubation). Although odds ratios of LVGLS for the prediction of outcome were statistically significant among hypertensive patients, these odds ratios did not reach significance among non‐hypertensive patients. RVGLS tertiles revealed significant odds ratios for the prediction of mortality (OR = 0.322, 95% CI: 0.162–0.640), ICU admission (OR = 0.287, 95% CI: 0.166–0.495), and need for intubation (OR = 0.360, 95% CI: 0.174–0.744). Odds ratios of RVGLS remained significant even after adjusting for hypertension when considering mortality and ICU admission.

Conclusion

RVGLS and LVGLS can be acceptable prognostic factors to predict mortality, ICU admission, and intubation in hospitalized COVID‐19 patients. However, RVGLS seems more reliable, as it is not confounded by hypertension.
Efficient Synthesis of 2’‐O‐Methoxyethyl Oligonucleotide‐Cationic Peptide Conjugates
Authors: Halloy François , Hill Alyssa C. , Hall Jonathan
Published: August 2021

Single‐stranded phosphorothioate (PS) oligonucleotide drugs have shown potential for the treatment of several rare diseases. However, a barrier to their widespread use is that they exhibit activity in only a narrow range of tissues. One way to circumvent this constraint is to conjugate them to cationic cell‐penetrating peptides (CPPs). Although there are several examples of morpholino and peptide nucleic acids conjugated with CPPs, there are noticeably few examples of PS oligonucleotide‐CPP conjugates. This is surprising given that PS oligonucleotides presently represent the largest class of approved RNA‐based drugs, including Nusinersen, that bears the 2’‐O‐methoxyethyl (MOE)‐chemistry. In this work, we report a method for in‐solution conjugation of cationic, hydrophobic peptides or human serum albumin to a 22‐nucleotide MOE‐PS oligonucleotide. Conjugates were obtained in high yields and purities. Our findings pave the way for their large‐scale synthesis and testing in vivo.
Synthesis, Biological Evaluation, and Computational Analysis of Biaryl Side‐Chain Analogs of Solithromycin
Authors: Daher Samer S. , Lee Miseon , Jin Xiao , Teijaro Christiana N. , Wheeler Steven E. , Jacobson Marlene A. , Buttaro Bettina , Andrade Rodrigo B.
Published: August 2021

There is an urgent need for new antibiotics to mitigate the existential threat posed by antibiotic resistance. Within the ketolide class, solithromycin has emerged as one of the most promising candidates for further development. Crystallographic studies of bacterial ribosomes and ribosomal subunits complexed with solithromycin have shed light on the nature of molecular interactions (π‐stacking and H‐bonding) between from the biaryl side‐chain of the drug and key residues in the 50S ribosomal subunit. We have designed and synthesized a library of solithromycin analogs to study their structure‐activity relationships (SAR) in tandem with new computational studies. The biological activity of each analog was evaluated in terms of ribosomal affinity (Kd determined by fluorescence polarization), as well as minimum inhibitory concentration assays (MICs). Density functional theory (DFT) studies of a simple binding site model identify key H‐bonding interactions that modulate the potency of solithromycin analogs.
Conversion of Wood into Hierarchically Porous Charcoal in the 200‐Gram‐Scale using Home‐Built Kiln**
Authors: Long Leonel A. , Arnal Pablo M.
Published: August 2021

The wood‐to‐charcoal process (carbonization) is crucial in developing new materials at the lab for key technological processes nowadays. Unfortunately, laboratory carbonization methods are relatively costly and produce charcoal on a one‐gram scale. This work presents a simple‐to‐build and simple‐to‐operate homemade kiln that carbonizes Eucalyptus wood chips (yield of 30±1 %) and produces charcoal on the 200‐gram scale (two orders of magnitude higher). As‐made solid particles had the typical structure, composition, and chemical behavior of charcoal obtained from wood with standard carbonization procedures. Research of charcoal‐based materials is now probably more accessible.
Fear of cancer recurrence and disease progression in long‐term prostate cancer survivors after radical prostatectomy: A longitudinal study
Authors: Meissner Valentin H. , Olze Lisa , Schiele Stefan , Ankerst Donna P. , Jahnen Matthias , Gschwend Jürgen E. , Herkommer Kathleen , Dinkel Andreas
Published: August 2021

Background

Although fear of cancer recurrence (FCR) or disease progression is among the most endorsed unmet needs and concerns of cancer survivors, research on the course of FCR in long‐term survivors is scarce. The objective of this study was to assess longitudinally the prevalence and predictors of FCR in long‐term prostate cancer (PCa) survivors.

Methods

In all, 2417 survivors from the multicenter German Familial Prostate Cancer Database completed the Fear of Progression Questionnaire–Short Form on average 7 years (T1 in 2010) after radical prostatectomy and at follow‐up 9 years later (T2 in 2019). Hierarchical multivariable logistic regression was used to assess predictors of FCR at follow‐up.

Results

The mean age at the initial assessment was 69.5 years (standard deviation, 5.9 years); 6.5% and 8.4% of patients reported clinical FCR at the initial assessment (T1) and at the follow‐up (T2), respectively. In a multivariable analysis controlling for concurrent associations, longitudinal predictors of FCR 9 years later included a lower level of education (odds ratio [OR], 4.35; 95% confidence interval [CI], 2.33‐8.33), years since radical prostatectomy (OR, 1.10; 95% CI, 1.03‐1.18), biochemical recurrence (OR, 1.67; 95% CI, 1.02‐2.72), no current adjuvant therapy (OR, 2.38; 95% CI, 1.19‐4.76), FCR (OR, 10.75; 95% CI, 6.18‐18.72), and anxiety (OR, 1.35; 95% CI, 1.06‐1.72).

Conclusions

FCR remains a burden to certain PCa survivors even many years after their diagnosis and treatment. Health care professionals should monitor for FCR and identify patients at risk to provide appropriate psychosocial care because FCR is leading to limitations in quality of life and psychological well‐being.
Headache outcomes of a sleep behavioral intervention in breast cancer survivors: Secondary analysis of a randomized clinical trial
Authors: Woldeamanuel Yohannes W. , Blayney Douglas W. , Jo Booil , Fisher Sophie E. , Benedict Catherine , Oakley‐Girvan Ingrid , Kesler Shelli R. , Palesh Oxana
Published: August 2021

Background

Breast cancer survivors often have persisting headache. In a secondary analysis of the Brief Behavioral Therapy for Cancer‐Related Insomnia (BBT‐CI) clinical trial (ClinicalTrials.gov identifier NCT02165839), the authors examined the effects of BBT‐CI on headache outcomes in patients with breast cancer.

Methods

Patients with breast cancer who were receiving chemotherapy were randomly assigned to receive either the BBT‐CI intervention or the Healthy EAting Education Learning for healthy sleep (HEAL) control intervention, and both were delivered over 6 weeks by trained staff. Headache outcomes and heart rate variability (HRV) were measured at baseline, 6 weeks, 6 months, and 12 months. Mixed‐effects models were used to examine longitudinal headache outcomes in the groups according to the intention to treat. Principal component analysis and agglomerative hierarchical clustering were conducted to reduce 16 variables for data‐driven phenotyping.

Results

Patients in the BBT‐CI arm (n = 73) exhibited a significant reduction in headache burden over time (P = .02; effect size [Cohen d] = 0.43), whereas the reduction was not significant among those in the HEAL arm (n = 66). The first principal component was positively loaded by headache, sleep, fatigue, and nausea/vomiting and was negatively loaded by cognitive, physical, and emotional functioning. Agglomerative hierarchical clustering revealed 3 natural clusters. Cluster I (n = 58) featured the highest burden of headache, insomnia, and nausea/vomiting; cluster II (n = 50) featured the lowest HRV despite a low burden of headache and insomnia; and cluster III (n = 31) showed an inverse relation between HRV and headache‐insomnia, signifying autonomic dysfunction.

Conclusions

BBT‐CI is efficacious in reducing headache burden in breast cancer survivors. Patient phenotyping demonstrates a headache type featuring sleep disturbance, nausea/vomiting, and low physical functioning—revealing similarities to migraine.

Lay Summary

Breast cancer survivors often have persisting headache symptoms.

In patients with cancer, treatment of chronic headache disorders using daily medications may be challenging because of drug interactions with chemotherapy and other cancer therapies as well as patients' reluctance to add more drugs to their medicine list.

Headache and sleep disorders are closely related to each other.

This study demonstrates that a sleep behavioral therapy reduced headache burden in breast cancer survivors.

In addition, the majority of headache sufferers had a headache type with similarities to migraine—featuring sleep disturbance, nausea/vomiting, and low physical functioning.
Tackling Challenging Data Integrity Topics in 2020: Update on Good Clinical Practice Perspectives from the US FDA and MHRA UK
Authors: Khin Ni A. , Grandinetti Cheryl , Dixey Hayley , Yu Bei , Skeete Rachel , Ayalew Kassa , Budwal‐Jagait Mandy , Cho Seongeun‐Julia , Dasgupta Arindam , Fisher Andrew , Kleppinger Cynthia , Kronstein Phillip D. , Martin Jennifer , McGuinness Michael , Mulinde Jean , Vinter Stephen , Wakelin‐Smith Jason , Walker Paula , Francis Gail
Published: August 2021

With the globalization of clinical trials, regulators have increased collaboration to evaluate the adequacy of clinical trial conduct and to optimize regulatory oversight. The 2020 joint Good Clinical Practice (GCP) symposium of the US Food and Drug Administration and the UK Medicines and Healthcare products Regulatory Agency provided the agencies’ perspectives on the challenges in ensuring data quality in novel clinical trial designs and the importance of the management and documentation of protocol deviations, sponsor oversight of clinical trials, and use of electronic source data, including electronic health records. This paper summarizes considerations of both agencies on these topics, along with case examples. This paper touches upon considerations when using real‐world data to support regulatory decisions. It also discusses the impact of the coronavirus disease 2019 (COVID‐19) pandemic on clinical trial conduct and underscores the importance of well‐designed, resilient, and adaptable systems for GCP compliance and data integrity.
Detection and confirmation of zilpaterol in equine hair using liquid chromatography–mass spectrometry
Authors: Moeller Benjamin C. , Clifford Amel , Emery Richard T. , Alarcio Gwen , Favro Gianna , Arthur Rick M.
Published: August 2021

Zilpaterol is a β2‐adrenergic agonist and a repartitioning agent that has a high potential for abuse in equine performance athletes. Analysis of zilpaterol in hair is an alternative sampling matrix that extends detection time periods beyond those found in urine or blood samples. Our laboratory has been screening for zilpaterol in hair for many years and recently detected and confirmed its presence in official samples. Accordingly, a liquid chromatography–mass spectrometry method was developed and validated to detect and confirm zilpaterol in equine hair. Briefly, equine hair was decontaminated, cut, and pulverized prior to disruption and liquid–liquid extraction in basic conditions. Following extraction, the sample was introduced to an Agilent 1260 HPLC and zilpaterol was separated using a reverse phase gradient with a total run time of 12.5 min. Following chromatographic separation, zilpaterol and its corresponding stable isotope labeled internal standard were introduced via positive mode electrospray ionization to a Thermo Q‐Exactive Plus mass spectrometer and spectra collected using parallel reaction monitoring. The methodology was validated using in‐house criteria including characterization of accuracy, precision, recovery, linear range, matrix effects, limit of detection, and limit of quantitation, and the method was found to be fit‐for‐purpose to confirm the presence of zilpaterol in equine hair. This methodology has been used to detect and confirm the presence of zilpaterol from out‐of‐competition hair samples submitted by regional racing authorities.
Impurity profiling of methamphetamine synthesised from α‐phenylacetoacetonitrile (APAAN)
Authors: Langone Deanna , Painter Ben , Nash Clark , Johnston Martin R. , Kirkbride K. Paul
Published: August 2021

The rise in popularity of ‘designer’ precursor compounds for the synthesis of amphetamine‐type stimulants poses a significant challenge to law enforcement agencies. One such precursor is α‐phenylacetoacetonitrile (APAAN). APAAN emerged in Europe in 2010 and quickly became one of the most popular precursors for amphetamine synthesis in that region. Previous literature has identified four APAAN‐specific impurities formed in the synthesis of amphetamine; however, there is currently no research on the use of APAAN in the synthesis of methamphetamine, which is more likely to be employed in a non‐European market. In this study methamphetamine was synthesised via three common clandestine methods: the Leuckart method and two reductive amination methods. We report the identification of five new impurities and two previously identified impurities characteristic for the use of APAAN in the synthesis of methamphetamine. The newly identified impurities were characterised by MS and NMR and determined to be (E)‐3‐(methylamino)‐2‐phenylbut‐2‐enenitrile, 3‐(methylamino)‐2‐phenylbutanenitrile, 3‐methyl‐2,4‐diphenylpentanedinitrile, 2‐phenylbutyronitrile and 3‐hydroxy‐2‐phenylbutanenitrile.
One‐Pot Synthesis of 2‐Aminobenzophenones from 2‐Alkynyl Arylazides Catalyzed by Pd and Cu Precursors
Authors: Yang Fan , Xu Shijie , Fan Hui , Zhao Xuechun , Zhang Xiaoxiang
Published: August 2021

We describe a novel one‐pot three‐step reaction of 2‐alkynyl arylazides through palladium‐catalyzed formation of 3‐hydroxy‐3‐phenylindolin‐2‐ones followed by hydrolysis of amide bonds and copper‐catalyzed decarboxylation to give 2‐aminobenzophenones. This synthetic method works well with various 2‐alkynyl arylazides and affords the products in moderate to good yields under mild reaction conditions.
Lithium intercalation into graphite: In operando analysis of Raman signal widths
Authors: Jovanovic Sven , Jakes Peter , Merz Steffen , Eichel Rüdiger‐A. , Granwehr Josef
Published: August 2021

The mechanism of reversible lithium intercalation in graphite anodes is still not fully understood. In operando Raman spectroscopy provides a sensitive means to monitor structural changes during the intercalation process. Analysis of the D‐band to G‐band intensity ratio (D/G ratio) is a common method to study the structure of carbon materials. However, this approach is complicated for the investigation of graphite anodes during battery cycling, as the D‐band disappears with the onset of lithium intercalation. To circumvent this issue, the D/G ratio can be replaced by using the G‐band full‐width‐at‐half‐maximum (FWHM). In this study, an investigation of the G‐band FWHM during battery cell cycling is demonstrated as an alternative to monitor the intercalation of lithium into a graphite electrode. It was observed that lithium intercalation already occurs to a small extent during solid–electrolyte interphase (SEI) formation and that the formation of staged intercalation compounds leads to a continuous deformation of the boundary graphene layer.
Zooming‐in – Visualization of active site heterogeneity in high entropy alloy electrocatalysts using scanning electrochemical cell microscopy
Authors: Tetteh Emmanuel Batsa , Banko Lars , Krysiak Olga A. , Löffler Tobias , Xiao Bin , Varhade Swapnil , Schumacher Simon , Savan Alan , Andronescu Corina , Ludwig Alfred , Schuhmann Wolfgang
Published: August 2021

Complex solid solutions (“high entropy alloys” with a single solid‐solution phase) hold great promise in electrocatalysis because of their nearly unlimited number of different active sites exposed at the surface. It has been shown by theoretical studies that multiple arrangements of different elements directly neighboring a binding site create millions of differently active catalytic sites. We report a zooming‐in approach using scanning electrochemical cell microscopy (SECCM) to distinguish between the averaged electrochemical response of multiple active sites and active site‐specific electrochemical response. Using a thin film complex solid solution electrocatalyst and a range of SECCM single barrel capillaries with diameters from 1.2 µm to 50 nm, we observed an averaged electrochemical response for the oxygen reduction reaction with minor statistical variations for the larger capillary diameters. In contrast, significant statistical heterogeneity among the measured spots is observed for small capillary diameters. This statistical heterogeneity is attributed to the ability of the smaller probe size to address a comparatively smaller number of active sites with high or low activity dominating the measured electrocatalytic currents.
Anti‐corrosive additives for alkaline electrolyte in Al‐air batteries: NH4VO3 and polyoxometalates
Authors: Atencio Anyie P. , Aviles Juan Ramón , Bolaños Dayatri , Urcuyo Roberto , Montero Mavis L. , González‐Flores Diego , Ocón Pilar
Published: August 2021

Aluminum‐air batteries are a promising alternative for portable energy storage. However, one of the significant issues in this technology is the corrosion of aluminum in alkaline electrolytes. In this study, we explored heteropolyacids (HPAs) H5PMo11Al0.5V0.5O40 and H6PMo11AlO40 as possible anti‐corrosive additives in Al7475, Al6062, and Al5052 commercial alloys. We also investigated the anti‐corrosive properties of commercial NH4VO3 and ZnO. Concerning HPAs, only H6PMo11AlO40 in combination with Al5052 showed anti‐corrosive activity. However, ZnO did not present anti‐corrosive properties in Al6062 alloy, while NH4VO3 presented anti‐corrosive properties for all three alloys. The combination of carboxymethylcellulose with NH4VO3 further improved the anti‐corrosive properties in the Al7475 alloy. We observed by using 2D Raman imaging the formation of polymeric forms of tetrahedral V+5O4 over the surface of three alloys. The main conclusion of our studies is that NH4VO3 combined with carboxymethylcellulose is a promising anti‐corrosive in the alkaline electrolyte of aluminum‐air batteries.
Effects of larval extracts from identified Protaetia brevitarsis seulensis against benign prostatic hyperplasia induced by testosterone in rats
Authors: Seo Yun‐Soo , Shin Na‐Rea , Nam Hyeon Hwa , Song Jun‐Ho , Cheol Moon Byeong , Choi Goya , Shin In‐Sik , Kim Joong‐Sun
Published: August 2021

Protaetia brevitarsis seulensis is an animal‐based medicine used traditionally in China, Japan, and Korea to treat hepatic disorders; it has been shown to possess various pharmacological effects such as antibacterial and antioxidant activities. In this study, we investigated the effects of P. brevitarsis on a testosterone‐induced benign prostatic hyperplasia (BPH) rat model. To establish the BPH model, the animals were administered a subcutaneous injection of testosterone daily for 28 days. P. brevitarsis was administered by oral gavage at doses of 12.5, 25, and 50 mg/kg for 28 days, along with testosterone injection. P. brevitarsis treatment markedly decreased the absolute and relative prostate weight of BPH animals. The levels of dihydrotestosterone was reduced in P. brevitarsis‐treated animals compared to those in the BPH animals. Histological analysis of the prostate showed that P. brevitarsis treatment effectively suppressed the testosterone‐induced hyperplasia of prostatic epithelial cells, which was accompanied by reductions in the PCNA and Ki‐67 expressions in prostatic tissues. These results indicate that P. brevitarsis effectively suppresses testosterone‐induced development of BPH, and thus, is a potential therapeutic agent for BPH.
Impact of COVID‐19 pandemic on postpartum depression among mothers of extreme and early preterm infants
Authors: Vatcheva Tzanka , Mostaert Anne , Van Ingelgem Valérie , Henrion Elisabeth , Legros Ludovic
Published: August 2021

Objective

To examine the impact of the coronavirus disease 2019 (COVID‐19) pandemic and the resulting isolation measures on the risk of postpartum depression (PPD) after preterm birth.

Methods

This is a cross‐sectional study of mothers of extreme and early preterm infants who completed the Edinburgh Postnatal Depression Scale (EPDS) at the standardized 3–6 months follow‐up consultation for preterm infants. Mothers assessed during the COVID‐19 pandemic (n = 34; from April 1, 2020 to March 31, 2021) were compared with an antecedent control group (n = 108; from January 1, 2017 to December 31, 2019). A multivariable logistic regression model was used to examine the relationship between the pandemic and the risk of PPD (EPDS score ≥13).

Results

The prevalence of depressive symptoms was significantly higher in the COVID‐19 study group (26% versus 12%, P = 0.043). The multivariable logistic regression model showed a significant association between the COVID‐19 pandemic and the risk of PPD (adjusted odds ratio 3.60, 95% confidence interval 1.06–12.59, P = 0.040).

Conclusion

Among mothers of extreme and early preterm infants, the COVID‐19 pandemic was independently associated with a higher risk of PPD. This confirms the need for a close and long‐term follow up of maternal psychological health after preterm birth.
Evaluation of virologic suppression rates during the COVID‐19 pandemic with outpatient interdisciplinary HIV care
Authors: Sorbera Maria , Fischetti Briann , Khaimova Rebecca , Niewinski Mateusz , Wen Kelly
Published: August 2021

Introduction

The Coronavirus Disease 2019 (COVID‐19) pandemic has presented social distancing challenges leading healthcare systems to adapt and utilize telemedicine platforms more than ever before. Reducing patient exposure to COVID‐19 became a primary concern, especially for populations at an increased risk for severe illness, such as human immunodeficiency virus (HIV) positive patients.

Objectives

The primary objective of this study was to measure the impact of pharmacy services including telehealth through the percentage of virologically suppressed patients (HIV ribonucleic acid [RNA] < 200 copies/mL) during the pre‐COVID and post‐COVID time periods. Secondary objectives included the percentage of patients with undetectable viral loads (HIV RNA < 20 copies/mL), percentage of patients with cluster of differentiation 4 (CD4) cell counts greater than 200 cells/mm3, and changes in CD4 cell counts and percentages pre‐COVID and post‐COVID.

Methods

This was a retrospective chart review at a single center HIV primary care clinic in Brooklyn, NY evaluating electronic medical records (EMRs) of 211 HIV‐positive patients. Pre‐COVID was defined as 1 year prior to March 13, 2020, and post‐COVID was defined as March 13 to July 20, 2020.

Results

Viral load suppression rates for pre and post‐COVID were 88.6% and 85.3%, respectively (P = .28). Undetectable viral load rates for pre and post‐COVID were approximately 81.5% and 74.4% (P = .096). Mean CD4 cell counts and percentages were 617 cells/mm3 and 29% for pre‐COVID, and 460 cells/mm3 and 22% for post‐COVID. CD4 cell counts greater than 200 cells/mm3 pre‐COVID and post‐COVID was 92.6% and 78.3%, respectively (P = .001).

Conclusion

Utilization of pharmacy services including telehealth, may allow clinical pharmacists to collaboratively provide remote services without jeopardizing patient outcomes. Larger studies are needed to confirm these findings, and display the long‐term impact and satisfaction of these services.
Reimbursement for clinical services provided by ambulatory care pharmacists via telehealth
Authors: Murray Briana P. , Watson Alexandra
Published: August 2021

Introduction

Data specific to pharmacists' value in patient‐provided clinical services in New York are limited due to their scope of practice restrictions. However, due to the coronavirus disease 2019 (COVID‐19) pandemic, there has been an expansion of telehealth and allowance for billable services for pharmacists.

Objectives

The objective of this study was to complete a retrospective review to assess reimbursement of clinical services provided by pharmacists via telehealth during the pandemic in a primary care setting.

Methods

A report was generated which identified patients 18 years and older, who were provided services by pharmacists within a primary care group via telehealth during March to July 2020 in New York. It identified patients with an appointment type code of “PharmD Telemed 30” or “PharmD TM Follow UP 15,” including Medicare Annual Wellness Visits or AWVs (G0438‐G0439) with procedural codes, and incident‐to CPT codes (99211‐99214). Information received included medical record number, name, date of birth, carrier plan name, billed procedure code and description, carrier payment amount, and patient responsible amount.

Results

A total of 485 patients were provided services during the timeframe. There were 223 encounters billed for the 99 211 CPT code, 156 of which received payment from insurers with an average of $20.14. For initial and subsequent AWVs there were a total of 48 and 150 encounters, respectively, billed by the pharmacists. Forty‐one of the encounters billed as a G0438 received payment from insurers with an average of $175.75. One hundred thirty‐three of the encounters billed as a G0439 received payment from insurers with an average payment of $114.09.

Conclusion

The results of this study provided insight into whether specific services or insurances should be targeted for payment of services. Expansion of these services could show improvement in patient care and can assist in gathering outcomes to better support pharmacists gaining provider status on the state and national level.
(Un)expected monetary policy shocks and term premia
Authors: Kliem Martin , Meyer‐Gohde Alexander
Published: August 2021

The term structure of interest rates is crucial for the transmission of monetary policy to financial markets and the macroeconomy. Disentangling the impact of monetary policy on the components of interest rates, expected short rates, and term premia is essential to understanding this channel. To accomplish this, we provide a quantitative structural model with endogenous, time‐varying term premia that are consistent with empirical findings. News about future policy, in contrast to unexpected policy shocks, has quantitatively significant effects on term premia along the entire term structure. This provides a plausible explanation for partly contradictory estimates in the empirical literature.
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study
Authors: Ma Zhifeng , Nakatani Naoki , Hada Masahiko
Published: August 2021

Norcarane hydroxylation by neutral [PorMn(V)O‐L] (L═OH−, F−) and cationic [PorMn(V)O‐L]+ (L═H2O, imidazole) oxoMn(V) porphyrin complex models has been investigated by density functional theory calculations to better understand the reaction mechanism and electronic structure. We found that the energy barriers of norcarane hydroxylation by cationic oxoMn(V) porphyrin complexes are lower than those by neutral oxoMn(V) porphyrin complexes. This indicates that cationic oxoMn(V) porphyrin complexes enhance norcarane hydroxylation compared with neutral oxoMn(V) porphyrin complexes. According to electronic structure analysis, in the C─H activation step, electron transfer occurs through initial interaction between the σCH and rich‐oxygen π(Mn═O) orbitals to form real donor orbitals, followed by transfer to the acceptor π*(Mn═O) orbitals. Moreover, single electron shifts from norcarane (CH) to Mn atom during C─H activation. The positive charge of the cationic complex stabilizes the acceptor orbital more than the donor orbital, reducing the energy gap between these orbitals, thus lowering the reaction barrier.
Influence of the thickness of silica layer on the radiative relaxation of AuNR@SiO2 core–shell nanostructures upon photoexcitation
Authors: Lai Jhih‐Jie , Shih Meng‐Chen , Chu Li‐Kang
Published: August 2021

Silica‐coated gold nanorods with different silica thicknesses (AuNR@X‐SiO2, X = 20, 35, 50 and 65, denoting the SiO2 thickness in nm on the longitudinal side) were excited with a 7‐ns pulsed 1064‐nm laser. The infrared emissions of AuNR@X‐SiO2, probed with a step‐scan Fourier‐transform interferometer, enveloped the optical phonon modes of the Si‐O‐Si bridge (1250–1000 cm−1) and adsorbed water (1700–1550 cm−1) within silica pores and minute blackbody radiation, indicating the capability of populating the optical phonon energy of capping layers in core‐shelled nanostructures upon photoexcitation. The decay of the emission at 1250–1000 cm−1 was decelerated as the thickness of silica increased. The kinetic analysis on the emission evolutions provided the thermalization properties of SiO2 on a microsecond timescale, including the intrinsic spontaneous radiation and the non‐radiative thermal conduction. The vibrational energy stored in the solid SiO2 and the embedded water might be capable of serving as an energy donor, that is, an optically‐energized catalyst, for vibrationally‐assisted chemical reactions.
Electrocoagulation as a revived wastewater treatment method‐practical approaches: a review
Authors: Magnisali Eirini , Yan Qun , Vayenas Dimitris V
Published: August 2021

This review paper aims to demonstrate electrocoagulation (EC) as a revived technology and introduce recent steps of advanced configurations, along with hybrid approaches for the efficient electrochemical treatment of multi‐sourced wastewaters. A brief theoretical background is also provided. Moreover, the practical applications of the process are presented, while no previous research has ever attempted to do so. Through online‐based data research, it was found that there are 75 manufacturers of EC systems internationally. Industrial case studies reveal actual process conditions and economical data. America holds 33% of global EC systems' manufacturing share and it is considered the leader in EC innovative designs with a percentage of almost 59%. In America and Europe, composite schemes are nearly equivalent to EC autonomous systems, with respective percentages of 41% and 47%. The performance of a two‐stage process combining electro‐coagulation (EC) and electro‐oxidation (EO) has been proven to be the most successful combination in industrial wastewater treatment, representing 54% of hybrid systems available globally. Most of the commercialized EC systems are of small‐medium sizes, accounting for 88% of all systems available worldwide. The latest trends on new reactor and electrode configurations are also presented. EC has great potential for further improvement as there is strong academic background to support water treatment companies for industrial scale ups. Cylindrical type reactors tend to dominate due to the ease of their use and maintenance; meanwhile, hybrid systems of EC with EO, membranes and/or adsorption will continue to expand on the market due to the mature level of these technologies and their ease of adaptation. © 2021 Society of Chemical Industry (SCI).
‘Steep learning curves’ to ‘Smooth Sailing’: A reappraisal of telegenetics amidst the COVID‐19 pandemic
Authors: Mueller Rebecca , Schindewolf Erica , Williams Samantha , Jay Kessler Lisa
Published: August 2021

The COVID‐19 pandemic has pushed medical providers to trial telemedicine on a scale that lacks precedent. In genetic medicine, nearly overnight genetics providers were asked to transition to telemedicine platforms, irrespective of their previous experience with these modalities. This push to telegenetics prompted a reappraisal of the practice, as genetics providers learned firsthand about the feasibility, benefits, and drawbacks of telegenetics and telesupervision, all of which raise questions about the potential incorporation of these platforms beyond the pandemic. Adding to nascent literature on the transition to telegenetics amidst the COVID‐19 pandemic, we aimed to evaluate provider experiences and preferences with respect to telegenetics through qualitative semi‐structured interviews with genetics providers. Nineteen providers from seven institutions participated in a semi‐structured interview focused on the rapid shift to telegenetics, the benefits and drawbacks of the practice, experiences supervising students on virtual platforms, and providers’ preferences. We employed a qualitative methodology so that providers working across diverse subspecialties could expand upon previously reported benefits and drawbacks. Qualitative data revealed the nuanced benefits of telegenetics which included overcoming geographic, spatial, and temporal barriers to care as well as greater involvement of patients’ family members in sessions. In addition, the data indicated drawbacks related to additional tasks such as completing paperwork electronically and facilitating the collection of specimens from patients’ homes. Interviews with providers from different subspecialties revealed how telegenetics may be uniquely useful for particular subspecialties, patient populations, or clinics for whom the aforementioned barriers are more significant. Providers reported that telesupervision made the provision of feedback to students more cumbersome and identified a number of methods for enriching the telesupervision experience. In keeping with previous research, most genetics providers appraised telegenetics as a valuable addition to patient care (68%, N = 13) and hoped to offer it as an option beyond the pandemic (63%, N = 12).