bluuebunny/crossref_metadata_2025 huggingface dataset:
New insights into the mechanisms of carbon dioxide mineralization by portlandite
Authors: Falzone Gabriel , Mehdipour Iman , Neithalath Narayanan , Bauchy Mathieu , Simonetti Dante , Sant Gaurav
Published: January 2021

Portlandite (Ca(OH)2; also known as calcium hydroxide or hydrated lime), an archetypal alkaline solid, interacts with carbon dioxide (CO2) via a classic acid–base “carbonation” reaction to produce a salt (calcium carbonate: CaCO3) that functions as a low‐carbon cementation agent, and water. Herein, we revisit the effects of reaction temperature, relative humidity (RH), and CO2 concentration on the carbonation of portlandite in the form of finely divided particulates and compacted monoliths. Special focus is paid to uncover the influences of the moisture state (i.e., the presence of adsorbed and/or liquid water), moisture content and the surface area‐to‐volume ratio (sa/v, mm−1) of reactants on the extent of carbonation. In general, increasing RH more significantly impacts the rate and thermodynamics of carbonation reactions, leading to high(er) conversion regardless of prior exposure history. This mitigated the effects (if any) of allegedly denser, less porous carbonate surface layers formed at lower RH. In monolithic compacts, microstructural (i.e., mass‐transfer) constraints particularly hindered the progress of carbonation due to pore blocking by liquid water in compacts with limited surface area to volume ratios. These mechanistic insights into portlandite's carbonation inform processing routes for the production of cementation agents that seek to utilize CO2 borne in dilute (≤30 mol%) post‐combustion flue gas streams.
Effective solvent system selection in the recrystallization purification of pharmaceutical products
Authors: Fickelscherer Richard J. , Ferger Christian M. , Morrissey Stephanie A.
Published: January 2021

This treatment describes the details of a methodical three step algorithm for determining the best operating conditions for the recrystallization separations of solid mixtures for the chosen targeted solvent systems. Our algorithm was applied to effectively separate a representative pharmaceutical product (caffeine) from a related pharmaceutical product (theophylline). The limitations of such calculations with currently available, widely used predictive methods for computing solution thermodynamics without experimental data are directly examined. Also presented here is a novel two stage recrystallization procedure which can potentially dramatically improve the overall recovery yields of the desired products. These systematic selection calculations described herein should enable researchers to quickly screen many potential solvent systems and operating conditions and concentrate experimental efforts only on the most promising candidates for such purifications.
A generalized cutting‐set approach for nonlinear robust optimization in process systems engineering
Authors: Isenberg Natalie M. , Akula Paul , Eslick John C. , Bhattacharyya Debangsu , Miller David C. , Gounaris Chrysanthos E.
Published: January 2021

We propose a novel computational framework for the robust optimization of highly nonlinear, non‐convex models that possess uncertainty in their parameter data. The proposed method is a generalization of the robust cutting‐set algorithm that can handle models containing irremovable equality constraints, as is often the case with models in the process systems engineering domain. Additionally, we accommodate general forms of decision rules to facilitate recourse in second‐stage (control) variables. In particular, we compare and contrast the use of various types of decision rules, including quadratic ones, which we show in certain examples to be able to decrease the overall price of robustness. Our proposed approach is demonstrated on three process flow sheet models, including a relatively complex model for amine‐based CO2 capture. We thus verify that the generalization of the robust cutting‐set algorithm allows for the facile identification of robust feasible designs for process systems of practical relevance.
Phase behavior and kinetics properties of gas hydrates in confinement and its application
Authors: Majid Ahmad A. A. , Koh Carolyn A.
Published: January 2021

Massive amounts of gas hydrates occur naturally in the pores of sediments or fractures in permafrost regions and beneath the oceans. For hydrate formation in confinement, the equilibrium condition can shift to harsher conditions, lowering the water activity and subsequently depressing the hydrate freezing temperature at a given pressure. Conversely, the nucleation and rate of hydrate formation, as well as hydrate conversion can be increased in confinement. Therefore, reliable assessment of the hydrate distribution in nature requires accurate thermodynamic and kinetic models of hydrate formation; however, these models tend to be based upon the properties of bulk hydrates. Hydrate formation and growth promotion in confinement are also potentially interesting for hydrate technological applications, such as gas separation, energy storage, and flow assurance. This paper reviews the thermodynamic and kinetic properties and their interrelations of gas hydrates in confined spaces.
Iterative model‐based experimental design for spherical agglomeration processes
Authors: Pal Kanjakha , Szilagyi Botond , Burcham Christopher L. , Jarmer Daniel J. , Nagy Zoltan K.
Published: January 2021

Spherical agglomeration (SA) is a process intensification strategy, which can reduce the number of unit operations in pharmaceutical manufacturing. SA merges drug substance crystallization with drug product wet granulation, reducing capital, and operating costs. However, SA is a highly nonlinear process, thus for its efficient operation model‐based design and control strategies are beneficial. These require the development of a high‐fidelity process model with appropriately estimated parameters. There are two major problems associated with the development of a high‐fidelity process models—(i) selection of the appropriate model corresponding to the underlying process mechanisms, and (ii) accurate estimation of the parameters. This work focuses on the identification of the best fitting model that correlates with experimental observations using cross‐validation experiments. Further, an iterative model‐based experimental design strategy is developed, which uses D‐optimal experimental design criterion to minimize the number of experiments necessary to obtain accurate parameter estimates.
Fine‐scale environmental heterogeneity and spatial niche partitioning among spring‐flowering forest herbs
Authors: Beck Jared J. , Givnish Thomas J.
Published: January 2021

PREMISE

Environmental heterogeneity influences plant distributions and diversity at several spatial scales. In temperate forests, fine‐scale environmental variation may promote local coexistence among herbaceous species by allowing plants to spatially partition microsites within forest stands. Here we argue that shallow soils, low soil water‐holding capacity and fertility, and reduced light near tree boles should favor short, shallow‐rooted, evergreen species like Anemone acutiloba with low moisture, nutrient, and light requirements. Farther from trees, richer, deeper soils should favor taller, deeper‐rooted herbs with greater moisture and nutrient demands, such as Sanguinaria canadensis and Trillium flexipes.

METHODS

We tested these hypotheses by mapping the fine‐scale distributions of Anemone, Sanguinaria, and Trillium individuals within a 50 × 50 m plot, comparing local species’ distributions with respect to soil depth and proximity to neighboring trees, and characterizing intraspecific and interspecific spatial associations.

RESULTS

Local plant distributions were consistent with our predictions based on leaf height, physiology, and phenology. Anemone was found in microsites on shallower soils and closer to trees than either Sanguinaria or Trillium. In all three species, individual plants were spatially aggregated within 2 m, but spatially segregated from individuals of the other species beyond 2 m.

CONCLUSIONS

Differential plant responses to fine‐scale environmental heterogeneity and observed spatial associations suggest that local species‐environment associations could facilitate coexistence. These findings illustrate how fine‐scale environmental heterogeneity coupled with phenological and physiological differences likely contribute to spatial niche partitioning among spring‐flowering forest herbs and maintain high local plant diversity within temperate forests.
Cytomegalovirus kinetics after hematopoietic cell transplantation reveal peak titers with differential impact on mortality, relapse and immune reconstitution
Authors: Leserer Saskia , Bayraktar Evren , Trilling Mirko , Bogdanov Rashit , Arrieta‐Bolaños Esteban , Tsachakis‐Mück Nikolaos , Crivello Pietro , Koldehoff Michael , Maaßen Fabienne , Ross Rudolf Stefan , Fleischhauer Katharina , Beelen Dietrich W. , Turki Amin T.
Published: January 2021

Even in the era of PCR‐based monitoring, prophylaxis, and preemptive therapy, Cytomegalovirus (CMV) viremia remains a relevant cause of non‐relapse mortality (NRM) after allogeneic hematopoietic cell transplantation (HCT). However, studies using binary analysis (presence/absence of CMV) reported contradicting data for NRM, overall survival and leukemia relapse. Here, we analyzed CMV replication kinetics in 11 508 whole blood PCR samples of 705 patients with HCT between 2012 and 2017. Using two independent models based on CMV peak titers and on the time point of first CMV reactivation, we stratified patients into risk cohorts. Each cohort had distinct cellular immune reconstitution profiles and differentiated for relevant clinical outcomes. Patients with high CMV peak titers had significantly reduced overall survival (HR 2.13, 95% CI 1.53–2.96; p < .0001), due to high NRM. Early impaired T cell reconstitution was a risk factor for high CMV peak titers, however relevant CMV viremia also related to boosted T cell reconstitution. Importantly, intermediate CMV peak titers associated with a significantly reduced relapse probability (HR 0.53, 95% CI 0.31–0.91; p = .022). In short, CMV kinetics models distinguished relevant clinical outcome cohorts beyond the R+ serostatus with distinct immune reconstitution patterns and resolve in part contradicting results of previous studies exclusively focused on the presence or absence of CMV.
Centering human milk composition as normal human biological variation
Authors: Quinn Elizabeth A.
Published: January 2021

Objectives

Human biological variation in the phenotype is the cornerstone of modern human biology, evolutionary anthropology, and related studies of human evolution. Minimal dialogue, however, has considered human milk to be part of this phenotypic variation. This may reflect researcher bias‐mental models oriented around commercial infant formula and homogenized cow's milk, both of which present milk composition as static. A general lack of research outside primarily Western, well‐nourished populations has also contributed to this underestimation of biological variation.

Methods

This review analyzes published research on breast milk composition, developmental metabolic programming, and maternal body composition to articulate the ways in which population‐based studies of human milk outside the United Sates are necessary to better understanding biological variation in human milk phenotypes.

Results

This review discusses some of the common issues in current research on the biological variation in human milk composition and argues that anthropological inquiries that frame milk as part of an adaptive phenotype are necessary to better understand the biological significance of human milk composition in the production of human biological variation.

Conclusions

Biological anthropology is uniquely positioned to investigate biological variation in human milk, using evolutionary theory, cutting edge biology, and anthropologically informed perspectives that challenge the biomedical framing of lactation and often act to privilege well nourished, primarily western populations and formula feeding as normatives for infant feeding research.
Craniofacial and occlusal features of children with Noonan syndrome
Authors: Bagattoni Simone , Costi Tommaso , D'Alessandro Giovanni , Toni Sara , Gatto Maria Rosaria , Piana Gabriela
Published: January 2021

Craniofacial features of 12 children with Noonan syndrome (NS) were compared with age and gender matched healthy children. Dental history, panoramic radiograph, dental casts, and cephalometric measurements were assessed. The palatal height was significantly increased in the study group compared with the control group (p = .009; paired t‐test). The palatal width was significantly reduced in the study group compared with the control group (p = .006; paired t‐test). The mean SNB was reduced in the study group compared with the control group (p = .02; paired t‐test) and the ANB increased (p = .009; paired t‐test). The mean Sum (NSAr + SArGo + ArgoMe) angle and SN‐GoMe were increased in the study group compared with the control group (respectively, p = .015 and p = .002; paired t‐test). The cephalometric analysis assessed a retruded position of the mandible, skeletal class II characteristics, and a vertical growth pattern. The mandibular hyperdivergency was associated to a positive overbite.
Aldosterone synthase (CYP11B2) deficiency among Palestinian infants: Three novel variants and genetic heterogeneity
Authors: Faingelernt Yaniv , Hershkovitz Eli , Abu‐Libdeh Bassam , Abedrabbo Amal , Abu‐Rmaileh Amro Sara , Zarivach Raz , Zangen David , Lavi Eran , Haim Alon , Parvari Ruti , Abu‐Libdeh Abdulsalam
Published: January 2021

Aldosterone synthase deficiency (ASD) is a rare potentially life‐threatening genetic disorder that usually presents during infancy due to pathogenic variants in the CYP11B2 gene. Knowledge about CYP11B2 variants in the Arab population is scarce. Here, we present and analyze five Palestinian patients and their different novel pathogenic variants. Data on clinical presentation, electrolytes, plasma renin activity, and steroid hormone levels of five patients diagnosed with ASD were summarized. Sequencing of the CYP11B2 gene exons was followed by evolutionary conservation analysis and structural modeling of the variants. All patients were from highly consanguineous Palestinian families. The patients presented at 1–4 months of age with recurrent vomiting, poor weight gain, hyponatremia, hyperkalemia, and low aldosterone levels. Genetic analysis of the CYP11B2 gene revealed three homozygous pathogenic variants: p.Ser344Profs*9, p.G452W in two patients from an extended family, and p.Q338stop. A previously described pathogenic variant was found in one patient: p.G288S. We described four different CYP11B2 gene pathogenic variants in a relatively small population. Our findings may contribute to the future early diagnosis and therapy for patients with ASD among Arab patients who present with failure to thrive and compatible electrolyte disturbances.
Human disease genes website series: An international, open and dynamic library for up‐to‐date clinical information
Authors: Dingemans Alexander J. M. , Stremmelaar Diante E. , Vissers Lisenka E. L. M. , Jansen Sandra , Nabais Sá Maria J. , van Remortele Angela , Jonis Noraly , Truijen Kim , van de Ven Sam , Ewals Jeroen , Verbruggen Michel , Koolen David A. , Brunner Han G. , Eichler Evan E. , Gecz Jozef , de Vries Bert B. A.
Published: January 2021

Since the introduction of next‐generation sequencing, an increasing number of disorders have been discovered to have genetic etiology. To address diverse clinical questions and coordinate research activities that arise with the identification of these rare disorders, we developed the Human Disease Genes website series (HDG website series): an international digital library that records detailed information on the clinical phenotype of novel genetic variants in the human genome (https://humandiseasegenes.info/). Each gene website is moderated by a dedicated team of clinicians and researchers, focused on specific genes, and provides up‐to‐date—including unpublished—clinical information. The HDG website series is expanding rapidly with 424 genes currently adopted by 325 moderators from across the globe. On average, a gene website has detailed phenotypic information of 14.4 patients. There are multiple examples of added value, one being the ARID1B gene website, which was recently utilized in research to collect clinical information of 81 new patients. Additionally, several gene websites have more data available than currently published in the literature. In conclusion, the HDG website series provides an easily accessible, open and up‐to‐date clinical data resource for patients with pathogenic variants of individual genes. This is a valuable resource not only for clinicians dealing with rare genetic disorders such as developmental delay and autism, but other professionals working in diagnostics and basic research. Since the HDG website series is a dynamic platform, its data also include the phenotype of yet unpublished patients curated by professionals providing higher quality clinical detail to improve management of these rare disorders.
Evidence that FGFRL1 contributes to congenital diaphragmatic hernia development in humans
Authors: Gofin Yoel , Mackay Laura Palmer , Machol Keren , Keswani Sundeep , Potocki Lorraine , Di Gregorio Eleonora , Naretto Valeria Giorgia , Brusco Alfredo , Hernandez‐Garcia Andres , Scott Daryl A.
Published: January 2021

Fibroblast growth factor receptor‐like 1 (FGFRL1) encodes a transmembrane protein that is related to fibroblast growth factor receptors but lacks an intercellular tyrosine kinase domain. in vitro studies suggest that FGFRL1 inhibits cell proliferation and promotes cell differentiation and cell adhesion. Mice that lack FGFRL1 die shortly after birth from respiratory distress and have abnormally thin diaphragms whose muscular hypoplasia allows the liver to protrude into the thoracic cavity. Haploinsufficiency of FGFRL1 has been hypothesized to contribute to the development of congenital diaphragmatic hernia (CDH) associated with Wolf‐Hirschhorn syndrome. However, data from both humans and mice suggest that disruption of one copy of FGFRL1 alone is insufficient to cause diaphragm defects. Here we report a female fetus with CDH whose 4p16.3 deletion allows us to refine the Wolf‐Hirschhorn syndrome CDH critical region to an approximately 1.9 Mb region that contains FGFRL1. We also report a male infant with isolated left‐sided diaphragm agenesis who carried compound heterozygous missense variants in FGFRL1. These cases provide additional evidence that deleterious FGFRL1 variants may contribute to the development of CDH in humans.
Interfamilial clinical variability in four Polish families with cranioectodermal dysplasia and identical compound heterozygous variants in WDR35
Authors: Walczak‐Sztulpa Joanna , Wawrocka Anna , Stańczyk Małgorzata , Pesz Karolina , Dudarewicz Lech , Chrul Sławomir , Bukowska‐Olech Ewelina , Wieczorek‐Cichecka Nina , Arts Heleen H. , Oud Machteld M. , Śmigiel Robert , Grenda Ryszard , Obersztyn Ewa , Chrzanowska Krystyna H. , Latos‐Bieleńska Anna
Published: January 2021

Cranioectodermal dysplasia (CED) is a rare autosomal recessive disorder primarily characterized by craniofacial, skeletal, and ectodermal abnormalities. CED is a chondrodysplasia, which is part of a spectrum of clinically and genetically heterogeneous diseases that result from disruptions in cilia. Pathogenic variants in genes encoding components of the ciliary transport machinery are known to cause CED. Intra‐ and interfamilial clinical variability has been reported in a few CED studies and the findings of this study align with these observations. Here, we report on five CED patients from four Polish families with identical compound heterozygous variants [c.1922T>G p.(Leu641Ter) and c.2522A>T; p.(Asp841Val)] in WDR35. The frequent occurrence of both identified changes in Polish CED families suggests that these variants may be founder mutations. Clinical evaluation of the CED patients revealed interfamilial clinical variability among the patients. This includes differences in skeletal and ectodermal features as well as variability in development, progression, and severity of renal and liver insufficiency. This is the first report showing significant interfamilial clinical variability in a series of CED patients from unrelated families with identical compound heterozygous variants in WDR35. Our findings strongly indicate that other genetic and non‐genetic factors may modulate the progression and expression of the patients' phenotypes.
AIFM1‐associated X‐linked spondylometaphyseal dysplasia with cerebral hypomyelination
Authors: Edgerley Katharine , Barnicoat Angela , Offiah Amaka C. , Calder Alistair D. , Mankad Kshitij , Thomas Nicholas Simon , Bunyan David J. , Williams Maggie , Buxton Chris , Majumdar Arniban , Vijayakumar Kayal , Hilliard Tom , Turner James , Burren Christine P. , Monsell Fergal , Smithson Sarah F.
Published: January 2021

Spondylometaphyseal dysplasia with cerebral hypomyelination (SMD‐H) is a very rare but distinctive phenotype, unusually combining spondylometaphyseal dysplasia with hypomyelinating leukodystrophy. Recently, SMD‐H has been associated with variants confined to a specific intra‐genic locus involving Exon 7, suggesting that AIFM1 plays an important role in bone development and metabolism as well as cerebral myelination. Here we describe two further affected boys, one with a novel intronic variant associated with skipping of Exon 7 of AIFM1 and the other a synonymous variant within Exon 7 of AIFM1. We describe their clinical course and radiological and genetic findings, providing further insight into the natural history of this condition.
First reported adult patient with retinal dystrophy and leukodystrophy caused by a novel ACBD5 variant: A case report and review of literature
Authors: Bartlett Michelle , Nasiri Nima , Pressman Rena , Bademci Guney , Forghani Irman
Published: January 2021

Peroxisomes play an essential role in lipid metabolism via interaction with other intracellular organelles. The information about the role of the Acyl‐CoA‐binding domain containing‐protein 5 (ACBD5) in these interactions in human cells is emerging. Moreover, a few patients with retinal dystrophy and leukodystrophy caused by pathogenic variants in ACBD5 have been recently introduced. Here, we present a 36‐year‐old female with retinal dystrophy, leukodystrophy, and psychomotor regression due to a novel homozygous variant in ACBD5. Our study adds to the growing knowledge of this peroxisomal disorder by providing phenotypic details of the first adult patient.
Hyperinsulinism in an individual with an EP300 variant of Rubinstein‐Taybi syndrome
Authors: Wild K. Taylor , Nomakuchi Tomoki T. , Sheppard Sarah E. , Leavens Karla F. , De León Diva D. , Zackai Elaine H.
Published: January 2021

Rubinstein‐Taybi syndrome (RSTS) is an autosomal dominant genetic syndrome characterized by distinct facial features, broad thumbs, growth restriction, microcephaly, intellectual disability, and developmental delay. Pathogenic variants in both CREBBP and EP300 have been associated with RSTS. Here we present a case of a female with hyperinsulinism and features consistent with RSTS, found to have a pathogenic variant in EP300. While there have been a few rare case reports of hyperinsulinism in RSTS, we suggest that hyperinsulinism might be a more prominent feature in EP300 variant RSTS than previously recognized.
MED27 Variants Cause Developmental Delay, Dystonia, and Cerebellar Hypoplasia
Authors: Meng Linyan , Isohanni Pirjo , Shao Yunru , Graham Brett H. , Hickey Scott E. , Brooks Stephanie , Suomalainen Anu , Joset Pascal , Steindl Katharina , Rauch Anita , Hackenberg Annette , High Frances A. , Armstrong‐Javors Amy , Mencacci Niccolò E. , Gonzàlez‐Latapi Paulina , Kamel Walaa A. , Al‐Hashel Jasem Y. , Bustos Bernabé I. , Hernandez Alejandro V. , Krainc Dimitri , Lubbe Steven J. , Van Esch Hilde , De Luca Chiara , Ballon Katleen , Ravelli Claudia , Burglen Lydie , Qebibo Leila , Calame Daniel G. , Mitani Tadahiro , Marafi Dana , Pehlivan Davut , Saadi Nebal W. , Sahin Yavuz , Maroofian Reza , Efthymiou Stephanie , Houlden Henry , Maqbool Shazia , Rahman Fatima , Gu Shen , Posey Jennifer E. , Lupski James R. , Hunter Jill V. , Wangler Michael F. , Carroll Christopher J. , Yang Yaping
Published: January 2021

The Mediator multiprotein complex functions as a regulator of RNA polymerase II–catalyzed gene transcription. In this study, exome sequencing detected biallelic putative disease‐causing variants in MED27, encoding Mediator complex subunit 27, in 16 patients from 11 families with a novel neurodevelopmental syndrome. Patient phenotypes are highly homogeneous, including global developmental delay, intellectual disability, axial hypotonia with distal spasticity, dystonic movements, and cerebellar hypoplasia. Seizures and cataracts were noted in severely affected individuals. Identification of multiple patients with biallelic MED27 variants supports the critical role of MED27 in normal human neural development, particularly for the cerebellum. ANN NEUROL 2021;89:828–833
Adsorption of toluene on silicalite‐1/NaY composites: Influence of NaY pretreatment on hydrophobic properties
Authors: Meng Xuan , Jin Linpeng , Yang Chao , Shi Li , Liu Naiwang , Ma Zhiming
Published: January 2021

The surface hydrophobic modification of NaY zeolite was discussed to improve the adsorption capacity of NaY in VOCs under wet conditions. Silicalite‐1/NaY composites were hydrothermally synthesized in silicalite‐1 precursor solution using NaY (treated with HCl and NaOH) as seed. The textural, porosity, morphology, and adsorption properties of these adsorbents were characterized by X‐ray diffraction, N2 adsorption–desorption, scanning electron microscopy, inductively coupled plasma atomic emission spectroscopy measurements, sequential X‐ray fluorescence spectrometer, and static adsorption experiment of water and dynamic adsorption tests under wet and dry condition. Results showed that the static water adsorption capacity of the composites was greatly reduced compared with pure NaY and the dynamic adsorption of toluene under both wet and dry conditions (relative humidity of 50% and 0%) indicated that the composites possessed high dynamic adsorptive capacity and hydrophobic properties. Among these composites, the sample synthesized by NaY (NaOH pretreatment) displayed the best hydrophobic properties in the competitive adsorption of water and toluene with a toluene adsorption capacity of 56 mg/g.
Aggregation induced emission (AIE)‐active N‐arylated ferrocenyl pyrazole‐based push–pull chromophores: Structural, photophysical, theoretical and effect of substitution on second‐order non‐linear optical properties
Authors: David Ezhumalai , Mishra Kamini , Thirumoorthy Krishnan , Palanisami Nallasamy
Published: January 2021

In this study, we report the synthesis and structural characterization of N‐arylated ferrocenyl pyrazole [Fc‐Pz‐(CF3)‐C6H5‐R] (R = CH3, 1; OCH3 2), where Pz = pyrazole and Fc = ferrocenyl = Fe(η5‐C5H5)(η5‐C5H4) chromophores with D–π–A–π–D system. The solvatochromic behaviour of compounds 1 and 2 was investigated in various solvents from non‐polar to polar. When solvent polarity increases, the charge transfer process produces the more polarized excited state, and consequently, positive solvatochromism was observed. The emission performance of the compounds is weak luminescence in CH3CN solution but becomes high emissive in a mixture of water/CH3CN fraction at (fw) 90%, demonstrating aggregation‐induced emission (AIE) characteristics, and the mechanism of AIE has been attributed to restricted intramolecular rotation (RIR) process. The time‐resolved fluorescence lifetime studies have been demonstrated in water/CH3CN mixture at 90%, as it shows three relaxation pathways in their fluorescence decay. In addition, density functional theory calculations have been employed to optimize the geometry of the molecules, followed by computation of dipole moment (μ), first hyperpolarizability (β) using various functionals (B3LYP, long‐range corrected CAM‐B3LYP and LC‐BLYP) and frontier molecular orbital levels for understanding the charge transfer, electrochemical and non‐linear optical (NLO) properties. The second‐order non‐linear optical properties were studied by hyper‐Rayleigh scattering (HRS) technique using an incident wavelength at 1064 nm. The chromophores exhibited the first hyperpolarizability (βHRS = 38.6 × 10−30 e.s.u. for 1 and βHRS = 116.8 × 10−30 e.s.u. for 2) and were found to be 6.8 times greater than that of the reference material, p‐nitroaniline (pNA) (βHRS = 17.1 × 10−30 e.s.u.). Also, compound 2 shows higher NLO effect because the presence of –OCH3 group makes effective charge transfer process by mesomeric effect (+M).
The comparative reactions of 2‐cis‐4‐ansa and spiro cyclotetraphosphazenes with difunctional ligands: Structural and stereogenic properties, electrochemical, antimicrobial and cytotoxic activity studies
Authors: Okumuş Aytuğ , Elmas Gamze , Kılıç Zeynel , Binici Arzu , Ramazanoğlu Nagehan , Açık Leyla , Çoşut Bünyemin , Hökelek Tuncer , Güzel Remziye , Tunalı Beste Çağdaş , Türk Mustafa , Şimşek Hülya
Published: January 2021

In this study, two kinds of compounds, namely, mono‐ferrocenyl‐2‐cis‐4‐dichloro‐ansa‐ (2,4‐ansa; 3) and mono‐ferrocenyl‐spiro‐ (spiro; 4) hexachlorocyclotetraphosphazenes, were obtained by the Cl replacement reaction of N4P4Cl8 (1) with an equimolar amount of sodium 3‐(N‐ferrocenylmethylamino)‐1‐propanoxide (2). The reactions of 2,4‐ansa (3) with excess diamines and dialkoxides resulted in the formation of ansa‐cyclotetraphosphazenes (3a–3e). Spiro (4) was reacted with excess diamines and dialkoxides to give the mono‐ferrocenyl‐spiro‐cyclotetraphosphazenes (4a–4d). Although 2,4‐ansa (3) produced the dispiro (3a) with N‐(4‐fluorobenzyl)‐N′‐methylethane‐1,2‐diamine, it afforded both monospiro (3b) and dispiro (3c) with N‐(4‐fluorobenzyl)‐N′‐methylpropane‐1,3‐diamine. However, spiro (4) yielded a trispiro (4a) with N‐(4‐fluorobenzyl)‐N′‐methylethane‐1,2‐diamine and 2,6‐dispiro (4b) with N‐(4‐fluorobenzyl)‐N′‐methylpropane‐1,3‐diamine. The structures of the phosphazenes were elucidated by FTIR, ESI‐MS and/or HRMS, spectroscopic and crystallographic (for 3f and 4b) data. Furthermore, the electrochemical findings of cyclotetraphosphazenes exhibited electrochemically reversible one‐electron oxidation of Fe‐redox centre. As an example, the chirality of 3c was investigated by 31P NMR spectroscopy on the addition of (R)‐(+)‐2,2,2‐trifluoro‐1‐(9′‐anthryl)‐ethanol, chiral solvating agent (CSA). The circular dichroism (CD) (for 3d and 3e), HPLC (for 3d, 3e and 3f) and X‐ray (for 3f) display that these compounds have chirality (RS′ or SR′) in the solution and solid state. This paper also focuses on the antimicrobial activities, the interactions with pBR322 DNA, in vitro anticancer activity against L929 fibroblast and MCF7 breast cells, and antituberculosis activity against Mycobacterium tuberculosis H37Rv of the cyclotetraphosphazenes.
Antibacterial activity and mechanism of piperazine polymer
Authors: Zhang Maolan , Wang Yuanliang , Zeng Guoming , Yang Shuang , Liao Xiaoling , Sun Da
Published: January 2021

Piperazine polymers poly(ethylenediaminetetraacetic dianhydride‐co‐piperazine) (PE) and MGF‐Ct24E‐modified poly(ethylenediaminetetraacetic dianhydride‐co‐piperazine) (PEM) showed good antibacterial activity. Considering their different applications, the effects of time, pH, and inoculation concentration of these antibacterials against Escherichia coli (E. coli) in unique environments were evaluated in this study. The results indicated that the MIC and MBC values of the polymers increased after the introduction of MGF‐Ct24E into PE, but the two types of polymers still exhibited good antibacterial activity in a short time period under acidic conditions. In addition, we investigated the effect of the piperazine polymers on bacterial cell structure. It was clear that PE and PEM could destroy the bacterial cell wall, cell membrane and DNA, and their specific mechanism may be different. For PE, its carboxyl group could react with peptidoglycans on the E.coli cell wall to form holes on the bacterial surface, allowing PE to penetrate into the bacterial cell to damage DNA. For PEM, the alkaline MGF‐Ct24E could adsorb E.coli and make it shrink, meanwhile, the PE component created small holes on the bacterial walls and membranes, and inserted into the bacteria to result in bactericidal effect. These findings reveal the potential usefulness of PE and PEM in biomedical applications.
Improvement of water resistance of wheat flour‐based adhesives by thermal–chemical treatment and chemical crosslinking
Authors: Bai Yumei , Zhao Fan , Shen Jun , Zhang Yuehong
Published: January 2021

A water‐resistant adhesive for plywood panels for engineered wood floors was developed using thermal–chemically treated wheat flour (WF), polyvinyl alcohol (PVA), and polymeric diphenylmethane diisocyanate (p‐MDI) as the cross‐linker. The thermal–chemical treatment was performed at 100°C in the presence of sulfuric acid or sodium dodecyl sulfate (SDS). Fourier transform infrared spectroscopy, X‐ray diffraction spectroscopy, and scanning electron microscopy were used to investigate the chemical structure, crystalline degree, and morphology change, respectively, of the thermal–chemically treated WF. The boiling water‐insoluble content and acetaldehyde values of the thermal–chemically treated WF were also evaluated and compared with those of the controls—native WF and thermally treated WF alone. The bond property evaluation showed that the water resistance of the thermal‐SDS‐treated WF (T‐SDS‐WF)‐based adhesive was significantly improved, which is mainly attributed to the formation of a three‐dimensional crosslinking network resulting from self‐crosslinking of the wheat protein, the Maillard reaction between the wheat starch and wheat protein, and the increased crosslinking between T‐SDS‐WF and p‐MDI. Overall, the developed WF‐based adhesive is a promising bio‐based candidate in the production of plywood for engineered wood floors.
Fabrication of poly(PEGMA) surface with controllable thickness gradient and its mediation on the gradient adhesion of cells
Authors: Tu Chenxi , Zhou Tong , Deng Liwen , Gao Changyou
Published: January 2021

The gradient surface shows enormous potential in the development of tissue engineering, biosensor, microfluidic control, and particle sorting. In this work, a poly(polyethyleneglycol methacrylate) (poly(PEGMA)) gradient surface was prepared through surface‐initiated activators regenerated by electron transfer atom transfer radical polymerization (SI‐AGRET ATRP). The effect of various parameters on the thickness growth of poly(PEGMA) film were analyzed, among which the excessive reducing agent was utmost important. The reducing agents supported the regeneration of CuI and eliminated the disturbance of air, maintaining the "living polymerization" of poly(PEGMA) up to 73.1 nm under tested conditions. The physicochemical properties of the fabricated surfaces were characterized by ellipsometry, X‐ray photoelectron spectroscopy, water contact angle. The thickness slope of gradient poly(PEGMA) was controllable in a nanoscale range. The gradient surface was further grafted with CRGD (Cys‐Arg‐Gly‐Asp) peptides onto the poly(PEGMA‐co‐[glycidyl methacrylate]) blocks via the ring‐opening reaction between epoxy and amino groups, which showed a gradient change in water contact angle and adhesion of endothelial cells.
High water‐absorbent and fast‐expanding PMMA bone cement with double‐bridged structure
Authors: Chen Lei , Tang Yufei , Zhao Kang , Liu Jiaxin , Jiang Xiashu , Sun Yani , Zhao Yan , Tan Quanchang , Yang Zhao , Wu Zixiang
Published: January 2021

The volume shrinkage of polymethyl methacrylate (PMMA) bone cement has been solved by the expandable additives. However, the water absorption and swelling capacity of composite were not maximized as the rapid solidification of the cement and the poor connectivity of the additives in the matrix. In this study, the double‐bridged structure was constructed in PMMA‐based bone cement. Poly(methyl methacrylate‐acrylic acid)‐graphene oxide [P(MMA‐AA)‐GO] was synthesized by the dispersion polymerization, graphene oxide (GO) with sheet layer formed a bridging effect between the poly(methyl methacrylate‐acrylic acid) [P(MMA‐AA)], accelerating water absorption; hydroxyethyl methacrylate in the liquid formed capillary networks, which bridged all the expansion units, increasing the pathways of water transfer in the matrix. The double‐bridged structure in the composite synergistically accelerated water absorption and swelling, causing complete water absorption and swelling performance before solidification, with maximum water absorption and swelling ratios of 125.2 ± 3.2% and 115.2 ± 4.7%, respectively. Surprisingly, the compressive strength of the composite had also been improved, and the maximum value was 78.3 ± 3.2 MPa, which satisfied the minimum compressive strength of acrylic implants in ISO 5833‐2002 and ASTM F451‐2016. This biomaterial exhibited a promising application prospect as its excellent expansion capacity and mechanical properties.
Evaluation of mechanical properties and hydrophobicity of room‐temperature, moisture‐curable polysilazane coatings
Authors: Zhan Ying , Grottenmüller Ralf , Li Wei , Javaid Farhan , Riedel Ralf
Published: January 2021

Polysilazane coatings have a broad need in real‐life applications, which require low processing or working temperature. In this work, five commercially available polysilazanes have been spin‐coated on polycarbonate substrates and cured in ambient environment and temperature to obtain transparent, crack‐free, and dense films. The degree of crosslinking is found to have a significant impact on the hardness and Young's modulus of the polysilazane films but has a minor influence on the film thickness and hydrophobicity. Among all five polysilazane coatings, the inorganic perhydropolysilazane‐based coating exhibits the largest hardness (2.05 ± 0.01 GPa) and Young's modulus (10.76 ± 0.03 GPa) after 7 days of curing, while the polyorganosilazane‐derived films exhibit higher hydrophobicity. The molecular structure of polysilazanes plays a key role in mechanical properties and hydrophobicity of the associated films, as well as the adhesion of coatings to substrates, providing an intuitive and reliable way for selecting a suitable polysilazane coating material for a specific application.
Upregulation of TRPM8 can promote the colon cancer liver metastasis through mediating Akt/GSK‐3 signal pathway
Authors: Liu Jia‐Jun , Li Long‐Zhu , Xu Peng
Published: January 2021

This study aims to clarify the function of transient receptor potential melastatin 8 (TRPM8) in colon cancer liver metastasis. First, TRPM8 expression was determined by Western blotting in colon cancer patients with/without liver metastasis. Second, colon cancer cells were grouped into Mock, siCON, and siTRPM8 groups. Then, a series of in vitro experiments were conducted. Last, CT26 cells were used to construct colon cancer liver metastasis models on mice in vivo, followed by comparison of liver metastasis and determination of AKT/glycogen synthase kinase‐3β (GSK‐3β) pathway. Consequently, TRPM8 was upregulated in both colon cancer patients with/without liver metastasis, especially in those with metastasis. Compared with Mock and siCON groups, cells in siTRPM8 group demonstrated significant decreases in clone numbers, cell invasion, and migration; and obvious downregulations of p‐AKT/AKT, p‐GSK3β/GSK3β, Snail, and Vimentin, with an upregulation of E‐cadherin. For in vivo experiments, a sharp decrease was observed in metastatic liver of mice in siTRPM8 group, with significant downregulations of p‐AKT/AKT, p‐GSK3β/GSK3β, Snail, and Vimentin and an upregulation of E‐cadherin, as compared with Mock and siCON groups. Thus, TRPM8 was upregulated in colon cancer patients with liver metastasis, and silencing TRPM8 may suppress the progression and epithelial–mesenchymal transition of colon cancer cells to block its liver metastasis possibly by inhibiting AKT/GSK‐3β pathway.
RETRACTED: Downregulation of SDCBP inhibits cell proliferation and induces apoptosis by regulating PI3K/AKT/mTOR pathway in gastric carcinoma
Authors: Qian Bo , Yao Zhiheng , Yang Yang , Li Na , Wang Qiao
Published: January 2021

Syndecan‐binding protein (SDCBP) has been reported to critically process a core role in tumorigenesis. This study was conducted to characterize a novel regulatory network of SDCBP in gastric carcinoma (GC) cells. Our findings indicated that overexpression of SDCBP promoted the proliferation of GC cell and increased proliferating cell nuclear antigen (PCNA) expression. Moreover, the overexpression of SDCBP suppressed the apoptosis of GC cell along with a decrease of Bax/Bcl‐2 ratio and induction of PI3K/AKT/mTOR activation. However, knockdown of SDCBP exhibited opposed effects on GC cells. Furthermore, silencing SDCBP significantly inhibited GC cell viability and PCNA expression accompanied with the upregulated cell apoptosis and Bax/Bcl‐2 ratio, which was regulated by PI3K/AKT/mTOR signaling pathway. And it was further determined that PI3K inhibitor LY294002, AKT inhibitor Torin1, and mTOR inhibitor MK‐2206 suppressed the apoptosis. In conclusion, SDCBP promotes the growth ability of GC by inducing the PCNA expression and inhibiting GC cell apoptosis via inactivation of the PI3K/AKT/mTOR pathway.
Proteomic analysis of human follicular fluid from polycystic ovary syndrome patients
Authors: Sim Young‐Jin , Ryu A‐Reum , Lee Mi‐Young
Published: January 2021

Comparative proteomic profiling of human follicular fluid (HFF) from polycystic ovary syndrome (PCOS) and non‐PCOS patients who displayed low levels of fertility was carried out via two‐dimensional gel electrophoresis (2‐DE) combined with mass spectrometry. HFF, an important reproductive fluid, was used for the proteomic analysis of PCOS patients to determine the effect of PCOS on folliculogenesis. HFF was obtained from 10 women (average age, 35 years) undergoing in vitro fertilization at two hospitals. The proteins of HFF were separated using 2‐DE analysis and validated by Western blot assay. Approximately 250 protein spots were separated on the 2‐DE gel. Among them, the expression levels of seven proteins were found to change at least 1.5‐fold in the PCOS patient group. Three protein spots, albumin, uncharacterized protein 1, and uncharacterized protein 2, were downregulated in PCOS patients. However, four protein spots, gelsolin, vitamin D binding protein, serum albumin, and complement factor B, were upregulated in PCOS patient group. These proteins may serve as a panel of potential pathological biomarkers during fertilization and oocyte development.
Comparative study of rapid ATP bioluminescence assay and conventional plate count method for development of rapid disinfecting activity test
Authors: Ishimaru Masako , Noda Hideyuki , Matsumoto Erino , Koshi Hiroyuki , Otake Hideyuki
Published: January 2021

Antimicrobial activity is tested when developing disinfectants, pharmaceutical products, cosmetics, and many other consumer products. However, the plate count method, the conventional way to count the number of microorganisms, needs several days of culture. Consequently, a means of rapid microbial detection is strongly desired to replace this method. We have already developed a rapid and sensitive microbial adenosine triphosphate (ATP) detection system utilizing ATP bioluminescence, which can quantify microbial ATP within 1 h. To apply this technique to antibacterial activity tests, the ATP method should be proved equal or superior to the conventional method. In this study, we conducted disinfectant activity tests comparing the ATP method and the plate count method, using polyhexamethylene biguanide (PHMB) in different concentrations (0–10 ppm) as a model disinfectant against Staphylococcus aureus and Aspergillus brasiliensis. We found that the log reduction of intracellular ATP had a positive correlation with the log reduction of the plate count. Moreover, the ATP method was able to distinguish different conditions of injured microbial cells that were observed using scanning electron microscopy, whereas colony counting detects only culturable cells. The ATP method is thus a rapid and useful alternative to the conventional method in the field of antimicrobial activity testing.
Lifetime psychiatric hospital diagnoses among 8,412 Danish men registered in an outpatient alcohol clinic
Authors: Christoffersen Lea A. N. , Mortensen Erik L. , Osler Merete , Sørensen Holger J. , Becker Ulrik , Flensborg‐Madsen Trine
Published: January 2021

Objective

To describe the prevalence of lifetime psychiatric hospital diagnoses among men registered in an outpatient alcohol clinic and compare the prevalence with matched controls. To assess temporality of alcohol use disorder (AUD) diagnoses and another psychiatric hospital diagnosis and examine the prevalence of lifetime psychiatric hospital diagnoses according to this temporal order.

Methods

The study included 8,412 Danish men registered in an outpatient alcohol clinic, and 8,412 unregistered controls from the Danish Conscription Database matched on birth date, lifespan, intelligence and draft board district. Information on first outpatient AUD treatment was retrieved from the Copenhagen Alcohol Cohort. Information on lifetime psychiatric hospital diagnoses was retrieved from national Danish psychiatric registers and based on the International Classification of Diseases the 8th and 10th Revisions. Prevalence estimates of lifetime psychiatric hospital diagnoses were compared with odds ratios (OR) between men registered in an outpatient alcohol clinic and the control population.

Results

Among men registered in an outpatient alcohol clinic, 66.6% had a lifetime psychiatric hospital diagnosis. In total, 8.6% had neuroses and anxiety disorders, while 25.3% had personality disorders. The OR of a lifetime psychiatric hospital diagnosis was 9.77 (95%CI: 8.87–10.75) when comparing men registered in an outpatient alcohol clinic with the control population. Among men with a lifetime psychiatric hospital diagnosis, 42.8% was registered with another psychiatric hospital diagnosis before registration with an AUD diagnosis.

Conclusion

Among men with a lifetime psychiatric hospital diagnosis, AUD is rarely diagnosed without psychiatric comorbidity at first‐time admissions to psychiatric hospital departments.