bluuebunny/crossref_metadata_2025 huggingface dataset:
Preparation and evaluation a mixed‐mode stationary phase with C18 and 2‐methylindole for HPLC
Authors: Hosseini Elham Sadat , Tabar Heydar Kourosh
Published: January 2021

A modified C18 column (Silpr‐2MI‐C18) was prepared using 2‐methylindole and C18 reagent. The extent of C18 hydrocarbon chain, conjugative rings and anion exchange site provided multiple retention mechanisms, including reversed‐phase liquid chromatography (RPLC), π–π interaction, hydrophilic interaction liquid chromatography (HILIC) and anion exchange chromatography (AEC). The separation of protected amino acids was investigated on the commercial C18 and Silpr‐2MI‐C18 columns, while the chromatographic conditions, including methanol content and pH of the mobile phase, were studied. The separation arrangement of the hydrophilic amino acids was different on the Silpr‐2MI‐C18 column compared to the commercial C18 column under RPLC mode. Furthermore, these amino acids were separated on the Silpr‐2MI‐C18 column under HILIC mode. The modified C18 column was employed to separate amino acids, alkylbenzenes and polycyclic aromatic hydrocarbons under RPLC mode and inorganic anion under AEC mode. The results confirm that this new stationary phase of RPLC/HILIC/AEC has multiple interactions with different analytes. Effective retention of biological samples was found on the Silpr‐2MI‐C18 column by comparing the results obtained from the commercial C18 column.
Oxidative degradation profile studies of tavaborole by a validated stability indicating RP‐UPLC method: Isolation and characterization of novel degradant using 2D‐NMR and HRMS
Authors: Puppala Umamaheshwar , Marisetti Vishnu Murthy , Srinivas Koduri S. V. , Reddy K. Venkateshwara , Kaliyaperumal Muralidharan , Doddipalla Raju
Published: January 2021

The current research work reports a study on the degradation profile of tavaborole, which is an oxaborole antifungal drug used to treat infections in the toenails. This work also reports the chemical stability of tavaborole in different stress conditions along with the isolation and characterization of degradation products by high‐resolution mass spectrometry and two‐dimensional nuclear magnetic resonance techniques. A sensitive and reproducible stability‐indicating ultra‐performance liquid chromatography method was developed and validated for quantification of tavaborole bulk drug in the presence of degradation products. Significant degradation was observed during oxidative stress conditions using H2O2. It was observed that the drug was highly unstable under oxidation stress conditions and thus degradation profiles with various oxidizing reagents were studied. One unknown impurity (DP‐1) was formed during peroxide degradation, which was isolated by reverse‐phase preparative chromatography. The structure of this degradant was characterized by high‐resolution mass spectrometry and multidimensional nuclear magnetic resonance techniques. The structure of this novel impurity DP‐1 was identified as [4‐fluoro‐2‐(hydroxymethyl)phenol], which was not reported as a degradant in the literature. An Acquity BEH C18, 100 × 2.1 mm, 1.7 μm column was used to achieve the desired separation within a shorter runtime of 4.0 min. The method was validated for specificity, precision, linearity and accuracy over the concentration range of 5.0–400 μg ml−1 (r2 −0.9999) and limit of quantitation 5.0 μg ml−1. This method is compatible with LCMS analysis which enables to identify the unknown impurities formed in the process.
Metabolic profiles of Jin‐hong tablets in rats by ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry
Authors: Liu Ling‐Xian , Cao Liang , Shi Dan‐Feng , Wang Zhen‐Zhong , Xiao Wei , Yao Xin‐Sheng , Li Hai‐Bo , Yu Yang
Published: January 2021

Jin‐hong tablets (JHTs), a well‐known traditional Chinese patent medicine (TCPM), have been effectively used for the treatment of chronic superficial gastritis (CSG). The metabolic profile of TCPMs is performed to determine their bioactive components. In this study, a five‐step strategy based on ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry and metabolynx™ software combined with mass defect filter technique was developed to delineate the metabolic profile of JHT in vivo. As a result, a total of 163 JHT‐related xenobiotics (38 prototypes and 125 metabolites) were identified or tentatively characterized in rat biological samples, and the phase I and II metabolism processes mainly included demethylation, hydroxylation, sulfation, and glucuronidation. In addition, after oral administration of JHT, a large amount of alkaloid‐related ingredients was detected in rat plasma samples, indicating that alkaloids may play an important role in the treatment of CSG with JHT. This study is beneficial for understanding the JHT’s in vivo metabolic profiles and characteristics, which helps to reveal its in vivo effective components and provides a solid basis for further studies on its functional mechanism.
The effects of voluntary complex and regular wheel running exercises on the levels of 8‐oxoguanine DNA glycosylase, semaphorin 3B, H2O2, and apoptosis in the hippocampus of diabetic rats
Authors: Fazelzadeh Mohammad , Afzalpour Mohammad Esmaeil , Fallah Mohammadi Ziya , Falah Mohammadi Hossein
Published: January 2021

Purpose

One of the most frequent complications associated with diabetes mellitus is apoptosis within the brain which can lead to cognitive disorders. Exercise is considered the best non‐pharmacological approach to reduce the severity and extent of cell death through poorly‐understood mechanisms. The aim of this study was to investigate the effects of voluntary complex and regular wheel running on the levels of 8‐oxoguanine DNA glycosylase (OGG1), semaphorin 3B (sema3B), hydrogen peroxide (H2O2), and apoptosis in the hippocampus of diabetic rats.

Methods

48 Wistar male rats were randomly divided into 6 groups: healthy control (C), diabetes control (D), regular wheel running + diabetes (RWD), complex wheel running + diabetes (CWD), healthy regular wheel running (RW), and healthy complex wheel running (CW). The diabetic rat model was produced by intraperitoneal injection of streptozotocin (STZ). The protocol encompassed a 4‐week voluntary running training regimen on regular and complex wheel running apparatus. The rats were sacrificed 48 hr after the last training session. To measure the protein concentrations within the hippocampus, ELISA has been utilized. One‐way ANOVA was used to compare the groups.

Results

There were no significant differences in OGG1 protein levels between the groups. H2O2 level in the D group was significantly higher than the C group (p = .002), while this in RWD and CWD groups was considerably lower than the D group (p = .002 and p = .003, respectively). In the D group, the levels of apoptosis and Sema3B were significantly (p = .001 and p = .007, respectively) higher than C, RWD (p = .001, p = .0001, respectively), and CWD groups (p = .001, p = .006, respectively). Nevertheless, there were not any significant differences between RWD and CWD groups.

Conclusion

The increased levels of Sema3B, H2O2, and apoptosis within the hippocampus associated with diabetes could be noticeably restored by both types of voluntary wheel running protocols.
Callosal abnormalities, altered cortisol levels, and neurocognitive deficits associated with early maltreatment among adolescents: A voxel‐based diffusion‐tensor imaging study
Authors: Cunha Paulo Jannuzzi , Duran Fabio L.S. , de Oliveira Paula Approbato , Chaim‐Avancini Tiffany M. , Milioni Ana Luiza V. , Ometto Mariella , Squarzoni Paula , Santos Pedro P. , Caetano Sheila C. , Busatto Geraldo F. , Scivoletto Sandra
Published: January 2021

Introduction

Neuroimaging studies have shown callosal abnormalities among maltreated subjects, but little is known about the functional and neurobiological correlates of these supposed developmental alterations. The aim of this study was to investigate childhood maltreatment (CM), neurocognitive functioning, cortisol levels, and corpus callosum (CC) integrity among adolescents.

Methods

One hundred and seven subjects underwent magnetic resonance imaging (MRI) with voxel‐based diffusion‐tensor imaging (DTI) and the Crossed Finger Localization Test (CFLT). Psychopathology was investigated with the Schedule for Affective Disorders and Schizophrenia (K‐SADS‐PL); CM was detailed by the Childhood Trauma Questionnaire (CTQ), and salivary cortisol levels were measured by immunoassay.

Results

Higher levels of CM were associated with current lower CFLT scores, mainly in the CROSSED condition, involving interhemispheric communication of sensorimotor information (p < .05) and with reduced fractional anisotropy (FA) in thespleniumof the CC (p < .01). Deficits in the CFLT were also associated with higher cortisol levels (p < .05).

Conclusion

The association among CM, neuropsychological abnormalities, callosal microstructure alterations, and cortisol levels suggests an altered pattern of brain interhemispheric connectivity among maltreated adolescents. Further studies are needed to investigate the extent to which these sensorimotor deficits and abnormal cortisol levels may be possible mediators of negative neurodevelopmental trajectories and adult psychopathology.
Prevalence of cancer and the benign call rate of afirma gene classifier in 18F‐Fluorodeoxyglucose positron emission tomography positive cytologically indeterminate thyroid nodules
Authors: Endo Mayumi , Sipos Jennifer A. , Ringel Matthew D. , Porter Kyle , Nagaraja Haikady N. , Phay John E. , Shirley Lawrence A. , Long Clarine , Wright Chadwick L. , Roll Katie , Nabhan Fadi A.
Published: January 2021

Background

18 F‐Fluorodeoxyglucose (FDG) positron emission tomography/computed tomography (PET/CT) positive (PET+) cytologically indeterminate thyroid nodules (ITNs) have variable cancer risk in the literature. The benign call rate (BCR) of Afirma Gene Classifier (Gene Expression Classifier, GEC, or Genome Sequence Classifier, GSC) in (PET +) ITNs is unknown.

Methods

This is a retrospective study at our institution of all patients with (PET+) ITNs (Bethesda III/IV) from 1 January 2010 to 21 May 2019 who underwent Afirma testing and/or surgery or repeat FNA with benign cytology.

Results

Forty‐five (PET+) ITNs were identified: 31 Afirma‐tested (GEC = 20, GSC = 11) and 14 either underwent surgery (n = 13) or repeat FNA (Benign cytology) (n = 1) without Afirma. The prevalence of cancer and noninvasive follicular thyroid neoplasm with papillary‐like nuclear features (NIFTP) including only resected nodules and ITN with repeat benign FNA (n = 33) was 36.4% (12/33). Excluding all Afirma “suspicious” non‐resected ITNs and assuming all Afirma “benign” ITNs were truly benign, that prevalence was 28.6% (12/42). The BCR with GSC was 64% compared to 25% with GEC (p = 0.056). Combining GSC/GEC‐tested ITNs, the BCR was higher in ITNs demonstrating low/very low‐risk sonographic pattern by the American Thyroid Association (ATA) classification and ITNs scoring <4 by the American College of Radiology Thyroid Imaging, Reporting and Data System (ACR‐TI‐RADS) than ITNs with higher sonographic pattern/score (p = 0.025).

Conclusions

The prevalence of cancer/NIFTP in (PET+) ITNs was 28.6–36.4% depending on the method of calculation. The BCR of Afirma GSC was 64%. Combining Afirma GEC/GSC‐tested ITNs, BCR was higher in ITNs with a lower risk sonographic pattern.
Validity of the prognostication tool PREDICT version 2.2 in Japanese breast cancer patients
Authors: Zaguirre Karen , Kai Masaya , Kubo Makoto , Yamada Mai , Kurata Kanako , Kawaji Hitomi , Kaneshiro Kazuhisa , Harada Yurina , Hayashi Saori , Shimazaki Akiko , Morisaki Takafumi , Mori Hitomi , Oda Yoshinao , Chen Sanmei , Moriyama Taiki , Shimizu Shuji , Nakamura Masafumi
Published: January 2021

Introduction

PREDICT is a prognostication tool that calculates the potential benefit of various postsurgical treatments on the overall survival (OS) of patients with nonmetastatic invasive breast cancer. Once patient, tumor, and treatment details have been entered, the tool will show the estimated 5‐, 10‐, and 15‐year OS outcomes, both with and without adjuvant therapies. This study aimed to conduct an external validation of the prognostication tool PREDICT version 2.2 by evaluating its predictive accuracy of the 5‐ and 10‐year OS outcomes among female patients with nonmetastatic invasive breast cancer in Japan.

Methods

All female patients diagnosed from 2001 to 2013 with unilateral, nonmetastatic, invasive breast cancer and had undergone surgical treatment at Kyushu University Hospital, Fukuoka, Japan, were selected. Observed and predicted 5‐ and 10‐year OS rates were analyzed for the validation population and the subgroups. Calibration and discriminatory accuracy were assessed using Chi‐squared goodness‐of‐fit test and area under the receiver operating characteristic curve (AUC).

Results

A total of 636 eligible cases were selected from 1, 213 records. Predicted and observed OS differed by 0.9% (p = 0.322) for 5‐year OS, and 2.4% (p = 0.086) for 10‐year OS. Discriminatory accuracy results for 5‐year (AUC = 0.707) and 10‐year (AUC = 0.707) OS were fairly well.

Conclusion

PREDICT tool accurately estimated the 5‐ and 10‐year OS in the overall Japanese study population. However, caution should be used for interpretation of the 5‐year OS outcomes in patients that are ≥65 years old, and also for the 10‐year OS outcomes in patients that are ≥65 years old, those with histologic grade 3 and Luminal A tumors, and in those considering ETx or no systemic treatment.
Ligand Binding to Dynamically Populated G‐Quadruplex DNA
Authors: Aznauryan Mikayel , Noer Sofie Louise , Pedersen Camilla W. , Mergny Jean‐Louis , Teulade‐Fichou Marie‐Paule , Birkedal Victoria
Published: January 2021

Several small‐molecule ligands specifically bind and stabilize G‐quadruplex (G4) nucleic acid structures, which are considered to be promising therapeutic targets. G4s are polymorphic structures of varying stability, and their formation is dynamic. Here, we investigate the mechanisms of ligand binding to dynamically populated human telomere G4 DNA by using the bisquinolinium based ligand Phen‐DC3 and a combination of single‐molecule FRET microscopy, ensemble FRET and CD spectroscopies. Different cations are used to tune G4 polymorphism and folding dynamics. We find that ligand binding occurs to pre‐folded G4 structures and that Phen‐DC3 also induces G4 formation in unfolded single strands. Following ligand binding to dynamically populated G4s, the DNA undergoes pronounced conformational redistributions that do not involve direct ligand‐induced G4 conformational interconversion. On the contrary, the redistribution is driven by ligand‐induced G4 folding and trapping of dynamically populated short‐lived conformation states. Thus, ligand‐induced stabilization does not necessarily require the initial presence of stably folded G4s.
Paraneoplastic giant cell arteritis and prostate cancer: A case report of a not common association
Authors: Figueiredo Cátia , Amaral Marta , Rodrigues Élio , Silva Rui , Vilão Óscar
Published: January 2021

GCA is not always a linear diagnosis. Rarely reported as a paraneoplastic condition when associated with solid tumors, the available cases are associated with poor response to corticosteroids.
Evaluation of Supercritical Technology for the Preparation of Nanomedicine: Etoricoxib Analysis
Authors: Pishnamazi Mahboubeh , Zabihi Samyar , Jamshidian Sahar , Lashkarbolooki Mostafa , Borousan Fatemeh , Marjani Azam
Published: January 2021

The solubility of etoricoxib in supercritical CO2 was measured using a gravimetric method in a wide range of pressures and temperatures. A pressure‐volume‐temperature (PVT) cell was designed and used. Different solubility values were obtained between 2.34 × 10−5 and 7.96 × 10−4 mol mol−1, depending on the applied pressure and temperature. Analyzing the solubility curves revealed that the pressure had a direct effect on the solubility of etoricoxib at all temperatures, while the effect of the temperature was dependent on the crossover point in the solubility curve. Indeed, before reaching the crossover point, the solubility decreased with increasing temperature, and after the crossover point, a direct relationship was observed between the solubility and the temperature. As such, the lowest solubility was obtained at 120 bar and 338 K.
Catalytic Asymmetric Addition of Diorganozinc Reagents to Pyrazole‐4,5‐Diones and Indoline‐2,3‐Diones
Authors: Wang Rong‐Hui , Li Ya‐Ling , He Hong‐Jiao , Xiao You‐Cai , Chen Fen‐Er
Published: January 2021

The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin‐4,5‐diones and isatins have been developed. In the presence of morpholine‐containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes its mild reaction conditions, Lewis acid additives free and broad functional group tolerance.
A Nickel(II)‐Mediated Thiocarbonylation Strategy for Carbon Isotope Labeling of Aliphatic Carboxamides
Authors: Pedersen Simon S. , Donslund Aske S. , Mikkelsen Jesper H. , Bakholm Oskar S. , Papp Florian , Jensen Kim B. , Gustafsson Magnus B. F. , Skrydstrup Troels
Published: January 2021

A series of pharmaceutically relevant small molecules and biopharmaceuticals bearing aliphatic carboxamides have been successfully labeled with carbon‐13. Key to the success of this novel carbon isotope labeling technique is the observation that 13C‐labeled NiII‐acyl complexes, formed from a 13CO insertion step with NiII‐alkyl intermediates, rapidly react in less than one minute with 2,2’‐dipyridyl disulfide to quantitatively form the corresponding 2‐pyridyl thioesters. Either the use of 13C‐SilaCOgen or 13C‐COgen allows for the stoichiometric addition of isotopically labeled carbon monoxide. Subsequent one‐pot acylation of a series of structurally diverse amines provides the desired 13C‐labeled carboxamides in good yields. A single electron transfer pathway is proposed between the NiII‐acyl complexes and the disulfide providing a reactive NiIII‐acyl sulfide intermediate, which rapidly undergoes reductive elimination to the desired thioester. By further optimization of the reaction parameters, reaction times down to only 11 min were identified, opening up the possibility of exploring this chemistry for carbon‐11 isotope labeling. Finally, this isotope labeling strategy could be adapted to the synthesis of 13C‐labeled liraglutide and insulin degludec, representing two antidiabetic drugs.
The emotional design of product color: An eye movement and event‐related potentials study
Authors: Ding Man , Song Meijia , Pei Huining , Cheng Yu
Published: January 2021

It is the key to accurately obtain participants' emotional responses to product color for the product color emotional design. However, traditional research rarely studies participant's internal emotion cognition and changing mechanism. In this article, a color emotional design method based on eye movements and event‐related potentials is proposed. Participative behavior experiment, eye movement, and event‐related potentials were carried out. Participants evaluated the electric iron pictures with different color layout and color number to obtain participants' participative feelings before eye movement and ERPs experiment. The results showed that three‐color samples were more popular than two‐color samples, and the participants' emotions were more positive when the color blocks were evenly distributed. The larger the pupil diameter in the eye movement data, the more positive the participants felt. Participants responded quickly to positive and negative stimuli when shown the two‐color samples, and the average amplitude of the early components P1 and N2 exhibited significant changes. For the three‐color samples, the average amplitude changes of positive and neutral states of participants mainly occurred in N2 and P3 components. However, there were no significant changes in the negative state. The combination of participative and objective methods is expected to offer an important basis for the research of color emotional design method based on color layout and color number, and to provide reliable indicators for the future analysis of physiological data and product color evaluation models.
Enhanced Photoelectrochemical Water Splitting on Nickel‐Doped Cobalt Phosphate by Modulating both Charge Transfer and Oxygen Evolution Efficiencies
Authors: Fan Yiping , Ning Xingming , Zhang Qi , Zhao Huihuan , Liu Jia , Du Peiyao , Lu Xiaoquan
Published: January 2021

Detrimental charge recombination at photoanode/electrolyte junctions severely impedes photoelectrochemical (PEC) performance. The deposition of cobalt phosphate (CoPi) onto photoanodes is an efficient approach to achieve high PEC efficiency. However, achieving performances at the required remains a huge challenge, owing to the passivation effect of CoPi. In this study, function‐tunable strategy, whereby the passivation role is switched with the activation role, is exploited to modulate PEC performance through simultaneous activation of interface charge transfer and surface catalysis. By depositing nickel‐doped CoPi onto a BiVO4 (BV) substrate, the integrated system (BV/Ni1Co7Pi) exhibits a remarkable photocurrent density (4.15 mA cm−2), which is a 4.6‐fold increase relative to BV (0.90 mA cm−2). Moreover, the satisfactory performance can be also achieved on α‐Fe2O3 photoanode. These findings provide guidance for improving the efficiency of CoPi on photoanodes for PEC water oxidation.
Multiple‐load wireless power transmission system through time‐division multiplexed resonators
Authors: Ghotbi Iman , Sarfaraz Hossein
Published: January 2021

This paper presents a wireless power transmission system which is able to deliver power to multiple loads by making use of a time‐division multiplexing technique. Similar loads are placed into the slots in a row, and two power transmitters, at the bottom and top, supply them with sufficient amount of power. This system operates in two phases; within one phase, the transmitters are in‐phase, and the resonators placed in odd slots are unloaded and act as power repeaters, and the resonators placed in even slots receive power. In the other phase, the transmitters are out‐of‐phase, and the resonators placed in odd slots receive power while others behave as repeaters. An optimization process is developed in order to find the optimum number of loads so that the required voltage is provided for each load while the headroom voltage of the transmitters does not increase considerably. An optimized seven‐load system is implemented for powering 82‐Ω loads with 2 W. Experimental results show that at least rectified voltage of 4.3 V is provided for each load, which is enough for typical lithium‐ion battery chargers.
Development and validation of a high‐parameter mass cytometry workflow to decipher immunomodulatory changes in celiac disease
Authors: Estevam Jose , Krutzik Peter , Vander Tuig Jason , McAuliffe William J. , Smithson Glennda
Published: January 2021

The advent of time‐of‐flight mass cytometry (CyTOF) has enabled high dimensional and unbiased examination of the immune system to simultaneous interrogate a multitude of parameters and gain a better understanding of immunologic data from clinical trial samples. Here we describe the development and validation of a 33‐marker mass cytometry workflow for measuring gastrointestinal (GI) trafficking peripheral blood mononuclear cells (PBMCs) in patients with celiac disease (CeD). This panel builds upon identification of well‐characterized immune cells and expands to include markers modulated in response to gluten challenge in patients with CeD. The CeD panel was optimized and validated according to accepted industry practice for validation of flow cytometry assays and builds upon established sample processing workflows for mass cytometry studies. Several critical parameters were evaluated during the assay development phase of this study including optimization of the sample processing steps, antibody specificity, and ensuring the panel as a whole performed to expectation. The panel was then validated using a fit‐for‐purpose approach tailored to the intended use of the data in the clinical trial. Validation included assessment of analytical parameters essential to understanding the reliability and robustness of the CeD panel such as intra‐assay precision, inter‐assay precision, inter‐operator precision and sample processing stability. Together, this validated mass cytometry workstream provides robust and reproducible high‐dimensional analysis of human peripheral blood immune cells to characterize patient samples from clinical trials.
Behavioral impact of experience based on environmental enrichment: Influence of age and duration of exposure in male NMRI mice
Authors: Mesa‐Gresa Patricia , Ramos‐Campos Marta , Redolat Rosa
Published: January 2021

Prior studies have suggested that short periods of exposure to environmental enrichment (EE) in rodents induce physiological and behavioral effects. In the present study, our aim was to evaluate if the impact of experiences based on EE could be modulated by the age of onset and the developmental period of exposure. NMRI male mice (n = 64) were exposed to EE or standard environment (SE) and behavioral changes (anxiety, exploration, memory and social interaction) were evaluated. Groups compared were: (a) SE: exposure to SE on post‐natal day (PND) 28 and lasting 6 months; (b) EE‐6: exposure to EE on PND 28 and lasting 6 months; (c) EE‐4: exposure to EE on PND 91 and lasting 4 months; (d) EE‐2: exposure to EE on PND 154 and lasting 2 months. Results indicated that in the hole‐board task the decrease in exploratory behavior reached significance when EE was initiated at adolescence whereas anxiolytic effects in the elevated plus‐maze tend to diminish after a longer period of EE. No significant effects of EE on aggressive behavior or novel object recognition were obtained. Taking these results into account, further studies are needed in order to determine the possible modulating role of age and duration of exposure to enriched environments on behavior. Results obtained could explain some discrepancies reported in previous studies, providing new evidence that could contribute to the design of future research related to the benefits of complex and enriched environments.
Spontaneous synchronous network activity in the neonatal development of mPFC in mice
Authors: Pires Johny , Nelissen Rosalie , Mansvelder Huibert D. , Meredith Rhiannon M.
Published: January 2021

Spontaneous Synchronous Network Activity (SSA) is a hallmark of neurodevelopment found in numerous central nervous system structures, including neocortex. SSA occurs during restricted developmental time‐windows, commonly referred to as critical periods in sensory neocortex. Although part of the neocortex, the critical period for SSA in the medial prefrontal cortex (mPFC) and the underlying mechanisms for generation and propagation are unknown. Using Ca2+ imaging and whole‐cell patch‐clamp in an acute mPFC slice mouse model, the development of spontaneous activity and SSA was investigated at cellular and network levels during the two first postnatal weeks. The data revealed that developing mPFC neuronal networks are spontaneously active and exhibit SSA in the first two postnatal weeks, with peak synchronous activity at postnatal days (P)8–9. Networks remain active but are desynchronized by the end of this 2‐week period. SSA was driven by excitatory ionotropic glutamatergic transmission with a small contribution of excitatory GABAergic transmission at early time points. The neurohormone oxytocin desynchronized SSA in the first postnatal week only without affecting concurrent spontaneous activity. By the end of the second postnatal week, inhibiting GABAA receptors restored SSA. These findings point to the emergence of GABAA receptor‐mediated inhibition as a major factor in the termination of SSA in mouse mPFC.
The occurrence of non‐anatomical therapeutic chemical‐international nonproprietary name molecules in suspected illegal or illegally traded health products in Europe: A retrospective and prospective study
Authors: Deconinck Eric , Vanhee Celine , Keizers Peter , Guinot Pauline , Mihailova Albena , Syversen Per Vidar , Li‐Ship Graziella , Young Steven , Blazewicz Agata , Poplawska Magdalena , Al‐Sayed Josephine Loasby , Stengelshøj Olsen Lone , el‐Atma Oliver , Leist Roman , Jönsson Karl‐Henrik , Afxentiou Maria , Barrios M. Mendoza , Diaz I. Dorronsoro , Zemser Marina , Kozokin Alla , Hackl Andreas , Portela Maria‐Jao , Beerbaum Nico , Bertrand Marie
Published: January 2021

The General European Official Medicines Control Laboratory (OMCL) Network (GEON), co‐ordinated by the European Directorate for the Quality of Medicines & HealthCare (EDQM), regularly organises market surveillance studies on specific categories of suspected illegal or illegally traded products. These studies are generally based on a combination of retrospective and prospective data collection over a defined period of time. This paper reports the results of the most recent study in this context with the focus on health products containing non‐Anatomical Therapeutic Chemical‐International Nonproprietary Name (ATC‐INN) molecules. In total 1104 cases were reported by 16 countries for the period between January 2017 and the end of September 2019. The vast majority of these samples (83%) were collected from the illegal market, while only 3% originated from a legal source. For the rest of the samples, categorisation was not possible. Moreover, 69% of all the reported samples were presented as medicines, including sexual performance enhancers, sports performance enhancers, physical performance enhancers and cognitive enhancers or nootropic molecules that act on the central nervous system (CNS). Although the popularity of anabolics, PDE‐5 inhibitors and CNS drugs in illegal products has already been reported, the study showed some new trends and challenges. Indeed, 11% of the samples contained molecules of biological origin, that is, research peptides, representing the second most reported category in this study. Furthermore, the study also clearly shows the increasing popularity of Selective Androgen Receptor Modulators and nootropics, two categories that need attention and should be further monitored.
Implications of genetic heterogeneity for plant translocation during ecological restoration
Authors: Crow Taylor M. , Buerkle C. Alex , Runcie Daniel E. , Hufford Kristina M.
Published: January 2021

Ecological restoration often requires translocating plant material from distant sites. Importing suitable plant material is important for successful establishment and persistence. Yet, published guidelines for seed transfer are available for very few species. Accurately predicting how transferred plants will perform requires multiyear and multi‐environment field trials and comprehensive follow‐up work, and is therefore infeasible given the number of species used in restoration programs. Alternative methods to predict the outcomes of seed transfer are valuable for species without published guidelines. In this study, we analyzed the genetic structure of an important shrub used in ecological restoration in the Southern Rocky Mountains called alder‐leaf mountain mahogany (Cercocarpus montanus). We sequenced DNA from 1,440 plants in 48 populations across a broad geographic range. We found that genetic heterogeneity among populations reflected the complex climate and topography across which the species is distributed. We identified temperature and precipitation variables that were useful predictors of genetic differentiation and can be used to generate seed transfer recommendations. These results will be valuable for defining management and restoration practices for mountain mahogany.
Environmental and prey‐based factors underpinning variability in prairie dogs eaten by black‐footed ferrets
Authors: Dierenfeld Ellen S. , Whitehouse‐Tedd Katherine , Dermauw Veronique , Hanebury Louis R. , Biggins Dean E.
Published: January 2021

The endangered black‐footed ferret (Mustela nigripis) has been the focus of intensive captive breeding and reintroduction projects for several decades. To better understand nutritional provision during captivity, primary prey items (prairie dogs) of free‐ranging black‐footed ferret populations were sampled from 6 native habitat sites in Wyoming and Colorado over a one‐year period. Morphometrics and nutritional analyses including proximate composition (water, crude fat, crude protein, ash), vitamins A and E, and select macro‐ and microminerals were conducted on black‐tailed (BT, Cynomys ludovicianus, n = 81) and white‐tailed (WT, C. leucurus; n = 58) prairie dogs. Stomach and intestinal contents were extracted and sampled separately from other carcass components. Multivariate linear modeling of data was used to determine the influence of environmental (season, site) and prey‐based (species, age, sex) factors on prey nutritional composition. Seasonality impacted the nutrient profiles of prairie dogs as food for black‐footed ferrets, affecting carcass, stomach, and intestinal samples in most nutrients evaluated for both species. Carcass and subcutaneous fat concentrations were lowest in spring for both species compared with other seasons. Conversely, fat‐soluble vitamin A in carcasses was highest in the spring for both species. Vitamin E was also highest in the spring for WT, but highest in the winter for BT, although no comparative winter data were available for the hibernating WT. Macronutrient composition did not differ between sexes for WT, but carcass fat was higher, hence protein lower, in female vs male BT. Age class and site‐specific differences detected for some nutrients suggested possible underlying feeding ecology differences. Given the ongoing concerns regarding ex situ population sustainability and the documented role of nutrition in black‐footed ferret health and reproduction, these seasonal nutrient profiles provide valuable guidelines for optimizing managed feeding programs for this endangered species, and similar considerations in prey nutrient variability can be applied to feeding programs of other carnivorous species.
Arthropod facilitation mediated by abandoned dead domatia
Authors: Novais Samuel , Cristóbal‐Perez E. Jacob , Aguirre‐Jaimes Armando , Quesada Mauricio
Published: January 2021

In ant–plant mutualistic interactions, plants provide shelter (domatia) and/or food to ants and in exchange, and ants provide protection against herbivores. After plant tissue senescence, ants are expected to abandon dead domatia, leaving these empty spaces available for other arthropods. In this study, we tested for the role of the mutualistic interaction between Cordia alliodora and Azteca pittieri in promoting new habitats for arthropods through abandoned dead domatia. We predicted that species richness, abundance, and colonization frequency of secondary arthropods would be greater in dead branch domatia (dead domatia) compared with live branch domatia (live domatia). During March 2019, we selected 38 C. alliodora trees in a Mexican tropical dry forest. For each tree, we collected five live and five dead domatia, for 380 domatia in total. We found six morphospecies of secondary arthropods colonizing live domatia, while 42 were present in dead domatia. Ants were the most species‐rich group (10 species) in abandoned dead domatia and utilized them as nesting sites (25 nests). Secondary arthropod species richness, abundance, and colonization frequency were greater in dead domatia compared with live domatia. We concluded that the Azteca–Cordia mutualistic interaction is an important habitat facilitator by promoting new habitats for arthropods through abandoned dead domatia.
Light‐Induced Dynamic Stability of Oxygen Vacancies in BiSbO4 for Efficient Photocatalytic Formaldehyde Degradation
Authors: Ran Maoxi , Cui Wen , Li Kanglu , Chen Lvcun , Zhang Yuxin , Dong Fan , Sun Yanjuan
Published: January 2021

Defect engineering has been regarded as a versatile strategy to maneuver the photocatalytic activity. However, there are a few studies concerning how to maintain the stability of defects, which is important to ensure sustainable photocatalytic performance. Here, a novel strategy to modulate the structural properties of BiSbO4 using light‐induced dynamic oxygen vacancies is reported by us for efficient and stable photocatalytic oxidation of formaldehyde. Interestingly, the continuous consumption and replenishment of vacancies (namely dynamic vacancies) ensure the dynamic stability of oxygen vacancies, thus guaranteeing the excellent photocatalytic stability. The oxygen vacancies could also accelerate the electron migration, inhibit the photogenerated electron/hole recombination, widen the light absorption spectra, and thus improve the photocatalytic formaldehyde removal performance. Combined with the results of in situ DRIFTS, the reaction mechanism for each step of formaldehyde oxidation is revealed. As supported by DFT calculation of Gibbs free energy, the introduction of oxygen vacancies into BiSbO4 can promote spontaneous process of formaldehyde oxidation. Our work highlights a promising approach for stabilizing the defects and proposes the photocatalytic reaction mechanism in combination with the thermodynamic functions.
Hollow S‐ZIF‐(1:2.5)@NixSy as Highly Efficient Catalyst for 4‐Nitrophenol and Dye Reduction
Authors: Lin Yongcen , Dong Xue , Zhao Lang
Published: January 2021

Mesoporous catalyst S‐ZIF‐(1:2.5)@NixSy was prepared using ZIF‐(1:2.5) as a precursor. These composite materials were characterized by using scanning microscope (SEM), transmission electron microscopy(TEM), X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS) and N2 adsorption‐desorption techniques, and studied as catalysts for the reduction of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP), congo red (CR), methyl orange (MO), and methylene blue (MB). The BET specific surface area and pore volume of the catalyst were 167.49 m2/g and 0.32 m3/g respectively. The doping of S improves the catalytic performance of the catalyst. S‐ZIF‐(1:2.5)@NixSy showed an excellent catalytic rate (kapp = 22.3 × 10–3/s) in the experiment of reductive degradation of 4‐NP. In addition, S‐ZIF‐(1:2.5)@NixSy also showed good catalytic activity for the degradation of CR, MB, and MO, completing the catalytic reaction within 60, 60, and 90 s, respectively. The kapp values for CR, MB, and MO are 29.0 × 10–3/s, 44.0.0 × 10–3/s, and 29.2 × 10–3/s, respectively.
New Functionalized Borasilsesquioxanes Obtained via Metathetical Transformation of 4‐Vinylphenylborasilsesquioxanes
Authors: Frydrych Miłosz , Sztorch Bogna , Brząkalski Dariusz , Pakuła Daria , Frąckowiak Dawid , Majchrzak Mariusz , Marciniec Bogdan
Published: January 2021

We report here functionalizing borasilsesquioxanes in a cross‐metathesis reaction in the presence of a ruthenium catalyst. The procedure provides new, silsesquioxanes containing boron atoms in their structure, which may find potential application in the preparation of special materials, e.g. flame retardants for polymers, organoboron Lewis acids for catalysts and scavengers, or molecular probes. The most attractive aspect of this study was obtaining hybrid silsesquioxane systems in the metathesis reaction of styrylborasilsesquioxane with mono‐ and octavinylsilsesquioxanes as well as diborate systems with vinylborate derivatives. Most of the compounds were obtained in good yields (> 75 %) and were characterized by spectroscopic methods (NMR, MALDI‐TOF‐MS).
Water‐Soluble Organotin Compounds – Syntheses, Structures and Reactivity towards Fluoride Anions in Water
Authors: Alashkar Nour , Arca Massimiliano , Alnasr Hazem , Lutter Michael , Lippolis Vito , Jurkschat Klaus
Published: January 2021

Herein, we report the syntheses of the water‐soluble organotin compounds [{Me2(H)N(CH2)3}2SnX2]Y2 (1, X = Cl, Y = ClO4; 2, X = F, Y = ClO4) and {Me2(H)N(CH2)3}2SnX4 (3, X = Cl; 4, X = F). The compounds were characterized by elemental analysis, electrospray mass spectrometry, 1H, 13C, 19F, and 119Sn NMR spectroscopy, and in the case of compounds 1, 3 and 4, by single‐crystal X‐ray diffraction analysis. The reaction of compound 2 with fluoride anions in water was investigated by NMR spectroscopy. DFT calculations accompany the experimental work.
Solid‐State Preparation and Luminescence Investigation of Rare Earth Iodide Carbodiimide Nitrides RE2I(CN2)N (RE = La, Gd) and LaI(CN2)
Authors: Dutczak Danuta , Siai Amira , Ströbele Markus , Enseling David , Jüstel Thomas , Meyer Hans‐Jürgen
Published: January 2021

New rare earth iodide carbodiimide nitride compounds with the composition RE2I(CN2)N (RE = La, Gd) were successfully synthesized by multilateral solid‐state metathesis reaction from RE triiodides, LiN and Li2(CN2). The crystal structures of RE2I(CN2)N were refined from X‐ray powder diffraction data with the space group Cmmm. LaI(CN2) was prepared from a mixture of LaI3 and Li2(CN2). The crystal structure was determined by X‐ray single‐crystal diffraction on a colorless crystal with the orthorhombic space group Cmcm. The luminescence investigation of Ce3+‐doped LaI(CN2) was carried out by excitation at 390 nm and reveals a broad emission band in the blue range of the visible spectrum.
Enhancing the Stability of Aromatic PCN Pincer Nickel Complexes by Incorporation of Pyridine as the Nitrogen Side Arm
Authors: Mousa Abdelrazek H. , Chakrabarti Kaushik , Isapour Ghodsieh , Bendix Jesper , Wendt Ola F.
Published: January 2021

New PCNPy pincer nickel complexes have been synthesized through a short synthetic route. Incorporating pyridine as the nitrogen side arm facilitated the C–H activation in the PCN ligand and allowed the cyclometallation with nickel to take place at room temperature. Pyridine also enhanced the stability of β‐hydrogen‐containing alkyl complexes. Also, the symmetric NCN nickel complex with pyridine side arms was successfully obtained giving a rare example of such type of complexes to be prepared through direct C–H activation. Furthermore, preliminary results showed that the (PCNPy)Ni–Br is active in Kumada coupling reactions particularly the coupling of aryl halides with aryl Grignard reagents.
Anionic Organoboranes: Delicate Flowers Worth Caring for
Authors: Budy Hendrik , Gilmer Jannik , Trageser Timo , Wagner Matthias
Published: January 2021

Subvalent boron compounds contain boron atoms with oxidation numbers lower than +III. Over the last decades, the development of isolable derivatives has relied heavily on the use of specially designed ligands capable of stabilizing the electron‐rich boron centers electronically or through steric protection. Herein, we are exclusively reviewing anionic organo(hydro)boranes largely devoid of stabilizing ligands or heteroatom substituents. The restriction to these subvalent species is intended to minimize the risk of ligand artifacts being included when carving out the characteristic properties of the respective boron centers, such as nucleophilic or carbenoid behavior. The scope of this review encompasses triorganoborane radical monoanions ([·BR3]–) along with closed‐shell dianions ([:BR3]2–), boryl anions ([:BR2]–), as well as B–B single‐bonded diborane(6) dianions ([R3B–BR3]2–) and diborane(5) monoanions ([R2B–BR3]–), and finally B=B double‐bonded diborane(4) dianions ([R2B=BR2]2–). We are showing how these species are related to each other and comment on their bonding situations from an experimentalist's perspective.
Catalytic Disproportionation of Hydrazine Promoted by Biomimetic Diiron Complexes with Benzene‐1,2‐Dithiolate Bridge Modified by Different Substituents
Authors: Sun Tie , Xu Sunlin , Yang Dawei , Su Linan , Wang Baomin , Qu Jingping
Published: January 2021

A series of thiolate‐bridged diiron nitrogenase mimics featuring benzene‐1,2‐dithiolate (bdt) ligand modified by different substituents were synthesized and characterized by X‐ray crystallography. Electrochemical studies by cyclic voltammetry demonstrate the redox potentials of these complexes depend on the electron‐withdrawing or electron‐donating nature of different substituents. Importantly, all these complexes can serve as catalysts for disproportionation of hydrazine to ammonia and dinitrogen, wherein the complex with the most negative reduction potential induced by strong electron‐donating NMe2 group exhibits the best catalytic activity. This result bodes well for efficient catalyst design for N–N bond cleavage of hydrazine. In addition, a well‐defined diiron diazene complex can be independently synthesized and also catalyze the hydrazine disproportionation to ammonia. However, relatively low yield suggests this species may not be a key intermediate during the catalytic cycle, unlike the other reported bimetallic systems.
An Overview on the ChemicalN‐Functionalization of Sugars and Formation ofN‐Glycosides
Authors: Sangwan Rekha , Khanam Ariza , Mandal Pintu Kumar
Published: January 2021

Its even more than a centennial that the systematic researches of chemical alteration of sugars have been advancing. Out of all the interest in the field ofN‐glycoside has assembled pace over the past few years. Therefore,N‐functionalization of sugar is one of the most fundamental modifications along with other group like azide, amide etc also play a remarkable role in the field of glycoscience. Different approaches to access structurally modifiedN‐glycosides in carbohydrate derivatives are reviewed. The goal of this review is to provide an overview of different way ofN‐functionalization of amino sugar and induction of nitrogen scaffolds for the synthesis of various orthogonal protective groups of theN‐glycoside. TheN‐functionalization of sugars designate as follows: (a) glycosylamine, (b) glycosyl azide, and (c) introduction ofN‐functionality to the sugar for formation ofN‐glycosides. This is the first review focus onN‐functionalization of sugars which will be a future scope that influence the readers to work in this area further.
A Morita–Baylis–Hillman Pathway to Wittig Products: One‐Pot Transformation of Nitroalkylideneoxindoles to Oxindolylidene‐Carboxylates
Authors: Satham Lakshminarayana , Sankara Chenikkayala Siva , Namboothiri Irishi N. N.
Published: January 2021

An unusual Morita–Baylis–Hillman (MBH) type reactivity of isatin‐derived nitroalkenes with activated carbonyl compounds has been demonstrated for the first time. The unexpected 3‐alkylideneoxindole esters were formed in moderate to excellent yields with complete stereoselectivity (only E‐isomer). The proposed mechanism based on control experiments involves a hybrid MBH–Wittig pathway.
Stacking of Sterically Congested Trifluoromethylated Aromatics in their Crystals – The Role of Weak F···π or F···F Contacts
Authors: Yi Hai , Albrecht Markus , Pan Fangfang , Valkonen Arto , Rissanen Kari
Published: January 2021

Five electron‐deficient aromatic compounds bearing 3,5‐bis(trifluoromethyl)benzyl moieties were investigated by X‐ray diffraction. In the crystals, the stacking of π systems between non‐planar electron‐deficient aromatics leads to an assembly with weak F···π and/or F···F interactions as the controlling factor.
DISTAL Dibromoresorcin[4]arenes Through Selective Deactivation: A Practical Optimization
Authors: Danielsiek Dominic , Dyker Gerald
Published: January 2021

A simple and straightforward regioselective synthesis of distal disubstituted resorcin[4]arenes was developed, avoiding competing substitution patterns at an early stage via regioselective deactivation. Product limiting reaction steps were optimized by starting material recovery and by an improved protocol for ester cleavage while providing simple workup procedures throughout the synthesis without requiring column chromatography. The cyclizing acetalization of distal disubstituted resorcinarene octols proved to be a high yield process without oligomer formation, although less sterically controlled compared to the usual tetrabromo case.