bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetic Soft Millirobots 3D Printed by Circulating Vat Photopolymerization to Manipulate Droplets Containing Hazardous Agents for In Vitro Diagnostics
Authors: Zhou Aiwu , Xu Changyu , Kanitthamniyom Pojchanun , Ng Chelsea Shan Xian , Lim Gerard Joseph , Lew Wen Siang , Vasoo Shawn , Zhang Xiaosheng , Lum Guo Zhan , Zhang Yi
Published: February 2022

3D printing via vat photopolymerization (VP) is a highly promising approach for fabricating magnetic soft millirobots (MSMRs) with accurate miniature 3D structures; however, magnetic filler materials added to resin either strongly interfere with the photon energy source or sediment too fast, resulting in the nonuniformity of the filler distribution or failed prints, which limits the application of VP. To this end, a circulating vat photopolymerization (CVP) platform that can print MSMRs with high uniformity, high particle loading, and strong magnetic response is presented. After extensive characterization of materials and 3D printed parts, it is found that SrFe12O19 is an ideal magnetic filler for CVP and can be printed with 30% particle loading and high uniformity. By using CVP, various tethered and untethered MSMRs are 3D printed monolithically and demonstrate the capability of reversible 3D‐to‐3D transformation and liquid droplet manipulation in 3D, an important task for in vitro diagnostics that are not shown with conventional MSMRs. A fully automated liquid droplet handling platform that manipulates droplets with MSMR is presented for detecting carbapenem antibiotic resistance in hazardous biosamples as a proof of concept, and the results agree with the benchmark.
Recent Advances in Boron‐ and Nitrogen‐Doped Carbon‐Based Materials and Their Various Applications
Authors: Thakur Anukul K. , Kurtyka Klaudia , Majumder Mandira , Yang Xiaoqin , Ta Huy Q. , Bachmatiuk Alicja , Liu Lijun , Trzebicka Barbara , Rummeli Mark H.
Published: February 2022

Carbon, owing to its unique properties such as surface area, pore features, conductivity, and chemical and thermal stability, has found several applications in the field of sensors, energy storage, electrocatalysis, and hydrogen storage. However, the properties of pristine carbon are sometimes insufficient to meet the requirements of a particular application. Heteroatom co‐doping may not only enhance the surface area, improve the porosity, and enhance the redox activity, but it also increases stability. B, N heteroatom co‐doping has gained popularity as it is found to be an effective way to enhance the properties of porous carbon by influencing the physicochemical, electrochemical, and electrical properties, thereby widening its applications. In this review, the rational synthetic strategies that are used to produce B, N co‐doped carbon are described. Further, the charge conduction in such B, N co‐doped carbon‐based materials (including metal and metal‐free) is discussed in detail. Certain remarkable works representing the various applications of B, N co‐doped carbon in the area of electrocatalysis, energy storage (rechargeable batteries and supercapacitors), and sensors are also highlighted. Finally, the review ends with a discussion of the existing challenges and possible future directions of research on B, N co‐doped carbon.
A Facile Surface Passivation Method to Stabilized Lithium Metal Anodes Facilitate the Practical Application of Quasi‐Solid‐State Batteries
Authors: Huang Kangsheng , Yu Jiahui , Wu Langyuan , Li Zhiwei , Xu Hai , Dou Hui , Zhang Xiaogang
Published: February 2022

Lithium metal anode matching solid electrolyte is an effective way to achieve high safety and high specific energy batteries, while the active interface of lithium metal has become a bottleneck problem that limits its application. Here, the challenges by forming an artificial solid electrolyte interphase (F‐, B‐containing) on lithium metal surface are surmounted. It demonstrates an extended cycling life over 2000 h of continuous plating/stripping at a high current density of 1.5 mA cm−2. Nuclear magnetic resonance spectra prove the effectiveness of anion receptors for decoupling Li+‐F−. The distribution and morphological features of the LiF/B artificial hybrid interphase can be observed from energy‐dispersive spectroscopy and scanning electron microscopy. Specifically, the treated metal lithium anode is also stable in the quasi‐solid‐state pouch cell (polyvinylidene fluoride‐hexafluoro propylene‐LLZTO) system, which can make the rotor of the small aircraft rotate quickly and stably for 9.2 min.
Spidroin Composite Biomimetic Multifunctional Skin with Meta‐Structure
Authors: Luo Haoxi , Shen Yujing , Liao Zhijun , Yang Xuejiao , Gao Bingbing , He Bingfang
Published: February 2022

Whether for organic life or intelligent machines (robots, Actuators), skin plays an important role as a barrier and sensor, and a lot of research is centered on making multifunctional skins. Here, the authors report an electronic skin with high stretchability, excellent mechanical sensing, and biochemical detection capabilities obtained by combining photonic crystals and sponge‐like filled liquid metal (LM)–polyurethane (PU)–spidroin (SP) composite materials. Inspired by geckos and mussels, a micropillar array is designed and coated with polydopamine to synergistically improve adhesion. P(MMA‐BA) elastic copolymer nanoparticles (are assembled into a photonic crystal pattern to endow electronic skin biochemical detection capabilities. The regionalization of the photonic crystal pattern allows the electronic skin to detect multiple target compounds simultaneously. The base material is an LM–PU–SP composite material with excellent stretchability and pressure sensitivity and is used for motion monitoring and tactile sensing. It is envisioned that this multifunctional electronic skin can be attached to animal skins for health monitoring to facilitate the diagnosis of metabolic diseases and wound inflammation. Alternatively, electronic skins can be attached to robots and soft robots for the collection of samples from heavily polluted areas, to obtain real‐time feedback information during the collection process.
Bilayer‐Metasurface Design, Fabrication, and Functionalization for Full‐Space Light Manipulation
Authors: Deng Liangui , Li Zile , Zhou Zhou , He Zhixue , Zeng Yongquan , Zheng Guoxing , Yu Shaohua
Published: February 2022

Light manipulation with metasurfaces is usually implemented in either transmission or reflection space. Since the other half‐space is abandoned, it may hinder the improvement of information capacity and functionality of metasurfaces. Previously reported works have showcased some attempts to modulate trans‐reflective phase for full‐space light manipulation. However, they either fail to realize complete decoupling or introduce unwanted amplitude variation, which leads to the performance deterioration of meta‐devices. Herein, a general platform is proposed to independently manipulate the trans‐reflective light, benefitting from the significantly increased degrees of freedom gifted by bilayer metasurfaces. As examples, two different meta‐devices, i.e., a full‐space meta‐hologram and a trans‐reflective vortex beam generator both with pixel‐resolution up to 340 nm are fabricated and characterized. Owing to their completely decoupled trans‐reflective phase, full‐space light manipulation with total independence, low crosstalk, and high information capacity are well presented. This research can empower advanced research on optical storage, fiber communication, optical sensing, and lightening.
Giant Negative Differential Resistance Effect Caused by Cutting off Acceptable Quantum States in Carbon Nanotube Tunneling Devices
Authors: Fang Li , Qiu Chenguang , Zhang Hongjie , Hu Yue , Peng Lian‐Mao
Published: February 2022

Tunneling devices with negative differential resistance (NDR) characteristic often suffer from bad peak‐to‐valley current ratios (PVR), which is due to the existence of the excess current generated by trap‐assisted tunneling and phonon‐assisted tunneling. How to suppress the excess current and improve PVR is a great challenge. Here, the authors propose a new strategy to suppress the excess current through cutting off the acceptable quantum states, and verify this mechanism by constructing a novel four‐terminal tunneling device, which consists of the carbon nanotube as channel, Pd and Sc electrode for p‐type and n‐type Ohmic contact, respectively, and self‐aligned split dual gates that modulate the channel to form the tunneling junction. In such a device, the window of acceptable quantum states can be cut off by increasing the sweeping rate ratio between the gate voltage to the drain voltage, so that the excess current can be suppressed. The devices exhibit significant NDR characteristics with a giant PVR of 13 500 at room temperature, and the peak current density can be up to 7 × 104 A cm−2, both of which are the highest values among all the reported low‐dimensional tunneling devices.
Cost‐effectiveness of second‐line therapies in adults with chronic immune thrombocytopenia
Authors: Goshua George , Sinha Pranay , Kunst Natalia , Pischel Lauren , Lee Alfred Ian , Cuker Adam
Published: February 2022

Major options for second‐line therapy in adults with chronic immune thrombocytopenia (ITP) include splenectomy, rituximab, and thrombopoietin receptor agonists (TRAs). The American Society of Hematology guidelines recommend rituximab over splenectomy, TRAs over rituximab, and splenectomy or TRAs while noting a lack of evidence on the cost‐effectiveness of these therapies. Using prospective, observational, and meta‐analytic data, we performed the first cost‐effectiveness analysis of second‐line therapies in chronic ITP, from the perspective of the U.S. health system. Over a 20‐year time‐horizon, our six‐strategy Markov model shows that a strategy incorporating early splenectomy, an approach at odds with current guidelines and clinical practice, is the cost‐effective strategy. All four strategies utilizing TRAs in the first or second position cost over $1 million per quality‐adjusted life‐year, as compared to strategies involving early use of splenectomy and rituximab. In a probabilistic sensitivity analysis, early use of splenectomy and rituximab in either order was favored in 100% of 10 000 iterations. The annual cost of TRAs would have to decrease over 80% to begin to become cost‐effective in any early TRA strategy. Our data indicate that effectiveness of early TRA and late TRA strategies is similar with the cost significantly greater with early TRA strategies. Contrary to current practice trends and guidelines, early use of splenectomy and rituximab, rather than TRAs, constitutes cost‐effective treatment in adults with chronic ITP.
NEXMIF pathogenic variants in individuals of Korean, Vietnamese, and Mexican descent
Authors: Langley Elizabeth , Farach Laura S. , Koenig Mary K. , Northrup Hope , Rodriguez‐Buritica David F. , Mowrey Kate
Published: February 2022

NEXMIF pathogenic variants have been known to produce a wide spectrum of X‐linked intellectual disability (ID) in both males and females. Thus far, few individuals from diverse populations have been described with NEXMIF‐related disorders. Herein, we report three individuals with NEXMIF pathogenic variants, the first two are the only males of Korean and Vietnamese descent described with this disorder to our knowledge. The last patient is a Hispanic female who harbors the same pathogenic variant as a previously described Caucasian individual, but with differing clinical presentation. These patients present with many classic symptoms of NEXMIF‐related disorders including ID, epilepsy, developmental delay, and dysmorphic features. In addition, they have symptoms that have not been thoroughly described in the literature, including allergies with multiple anaphylactic events and hypothyroidism. This report is intended to raise awareness and educate about the clinical signs that may prompt testing for NEXMIF‐related disorders.
CuI Nanoparticle‐Catalyzed Regioselective Synthesis of 3‐Nitro‐2‐arylimidazo[1,2‐a]pyridines using Oxygen as Oxidant
Authors: Das Dibya , Jena Ashis Kumar , Pal Chandan Kumar , Bourda Laurens , Van Hecke Kristof
Published: February 2022

A mild, efficient and stable copper iodide nanoparticle (CuI NP)‐catalyzed regioselective synthesis of 3‐nitro‐2‐arylimidazo[1,2‐a]pyridines was developed. Substituted 2‐amino pyridines successfully reacted with both electron‐rich and electron‐deficient β‐nitro styrenes to produce the desired products in good to excellent yields. Hot filtration tests confirmed the heterogeneous nature of the CuI NPs. The nanocatalyst showed good reusability up to three consecutive cycles without any significant loss in its activity and product yield, confirmed by high‐resolution transmission electron microscopy (HR‐TEM) analysis. Use of molecular oxygen as oxidant is advantageous from an economic and environmental point of view.
Experimental study on durability of wood–plastic composites by coupling dry–wet cycles and seawater environment
Authors: Jiang Liangpeng , Li Xiaokai , Fu Jingjing , Teng Wenxiang , Yang Hongtao
Published: February 2022

The durability of wood–plastic composites (WPCs) exposed to seawater dry–wet cycles were investigated. The most detrimental cycles were evaluated by the orthogonal design method. The physical properties, structural strength, chemical characteristics, and thermal stability of WPC materials under the worst seawater dry–wet (W‐SDW) cycles were described based on discoloration/water absorption/thickness swelling, hardness/impact strength, Fourier transform infrared spectra, and thermogravimetric analysis results, respectively. The results showed that the W‐SDW cycles were: immersion temperature of 60°C, immersion time of 4 h, drying temperature of 70°C, and drying time of 3 h. The exposure to W‐SDW cycles degraded the fiber–matrix interface interaction, increasing discoloration, water absorption, and thickness swelling as well as reducing hardness, impact strength, and pyrolysis temperature. The degree of degradation of the fiber and matrix is positively correlated with that of the fiber–matrix interface interaction. The analysis of the experimental phenomenon indicates that protecting the fiber–matrix interface maintains the durability of WPC materials.
Highly sensitive biosensor based on aptamer and hybridization chain reaction for detection of cadmium ions
Authors: Xu Mingming , Peng Yu , Yang Hualin , Zhou Yu
Published: February 2022

In this work, a highly sensitive biosensor for detecting cadmium ions (Cd2+) was developed based on a Cd2+‐specific DNA aptamer and a hybridization chain reaction (HCR). The Cd2+ aptamer (named S0) was used to recognize Cd2+ and trigger the HCR. Without Cd2+, S0 initiated the HCR to form long nicked dsDNA structures to quench the fluorescence. Then, Cd2+ could bind with S0 to block HCR to recover fluorescence. This biosensor had high sensitivity with a detection limit of 0.36 nM and a linear range from 0 to 10 nM. Moreover, it showed a satisfactory selectivity and recovery rates.
Are K‐strategists yield‐strategists in disguise? An example from autotrophic nitrogen removal
Authors: Acevedo Alonso Vanessa , Lackner Susanne
Published: February 2022

The behavior of heterotrophic bacteria growing in systems with low or no external supply of chemical oxygen demand (COD) has become more relevant within the wastewater context. Growth strategies help to clarify how bacteria behave and adapt to different environmental conditions. In the case of substrate limited conditions, research has been mainly focused on the k‐strategy, whereas another important strategy: the yield strategy has not been explored intensely. Some authors have, however, demonstrated the implications of bacteria pursuing the yield strategy when living in structured environments and facing low‐substrate concentrations. This study uses a one‐dimensional biofilm model to study the influence of the affinity constant, the maximum growth rate, and the growth yield on the heterotrophic formation of dinitrogen gas (N2) in a completely autotrophic partial nitritation anammox system. The effect of these parameters on the composition and the diversity of the heterotrophic community is also evaluated. In a first scenario, heterotrophic bacteria are allowed to grow only on the COD produced by biomass decay. In a second step, the competition with a second group of heterotrophs using external COD as electron donor is assessed. For both evaluated scenarios, the results suggest that the yield plays a crucial role in the heterotrophic biomass and dinitrogen gas formation. Moreover, in the case of the community diversity the yield seems to be the decisive parameter. Finally, we conceptually compared the K and the yield strategy and give some insight to the possibility of both either being closely related or even being the same strategy.
Association between serum cystatin C level and post‐stroke cognitive impairment in patients with acute mild ischemic stroke
Authors: Yan Xu , Chen Huan , Shang Xiu‐Li
Published: February 2022

Background

Mild ischemic stroke (MIS) has been proved to be closely related to post‐stroke cognitive impairment (PSCI). However, there are relatively few studies on the risk factors of MIS. We aimed to evaluate the relationship between serum cystatin C (CysC) level and cognitive function in patients with acute MIS.

Methods

Four hundred consecutive patients with acute MIS were screened and 281 patients were eligible for this study. The serum CysC levels were detected within 24 h after admission. Cognitive function was assessed by Montreal Cognitive Assessment (MoCA) at 3 months after acute MIS. Logistic regression was used to identify the predictors of PSCI, and the receiver operating characteristic (ROC) curve was applied to explore the optimal cut‐off value.

Results

One hundred sixty‐four (58.4%) patients were diagnosed with PSCI at 3 months follow‐up. The serum CysC levels in patients with PSCI were significantly higher than patients without PSCI (p < .001). The binary logistic regression analysis showed that higher serum CysC level was an independent predictor for PSCI at 3 months (odds ratio [OR], 5.745; 95% confidence interval, [CI], 1.089–30.311; p = 0.039). The ROC curve showed that area under the curve (AUC) was 0.723, and at a 0.945 mg/l CysC cut‐off point, the sensitivity and specificity for PSCI at 3 months were 79.9% and 58.1%, respectively.

Conclusion

Our findings suggested that the serum CysC levels were increased after acute MIS, and higher serum CysC levels at baseline might be an independent risk factor for PSCI in patients with acute MIS, but further research are warranted.
Rural–urban differences in secular trends of locoregional treatment for ductal carcinoma in situ: A patterns of care analysis
Authors: Riley Danielle , Chrischilles Elizabeth A. , Lizarraga Ingrid M. , Charlton Mary , Smith Brian J. , Lynch Charles F.
Published: February 2022

Precis

Omission of PORT following BCS remains high among rural patients despite evidence that PORT leads to a significant reduction in the risk of local recurrence. Further research is needed to examine the impact of rural residence on treatment choices and develop methods to ensure equitable care among all breast cancer patients.

Background

Despite national guidelines, debate exists among clinicians regarding the optimal approach to treatment for patients diagnosed with ductal carcinoma in situ (DCIS). While regional variation in practice patterns has been well documented, population‐based information on rural–urban treatment differences is lacking.

Methods

Data from the SEER Patterns of Care studies were used to identify women diagnosed with histologically confirmed DCIS who underwent cancer‐directed surgery in the years 1991, 1995, 2000, 2005, 2010, and 2015. Adjusted odds ratios (aORs) and 95% confidence intervals (CIs) were estimated using weighted multivariable logistic regression to evaluate cancer‐directed surgery and use of post‐operative radiation therapy (PORT).

Results

Of the 3337 patients who met inclusion criteria, 27% underwent mastectomy, 26% underwent breast‐conserving surgery (BCS) without PORT, and 47% underwent BCS with PORT. After adjustment for other covariates, there was no difference in the likelihood of receiving mastectomy between rural and urban patients (aOR = 0.65; 95% CI 0.37–1.14). However, rural residents were more likely than urban residents to have mastectomy during 1991/1995 (aOR = 1.78; 95% CI 1.09–2.91; pinteraction = 0.022). Across all diagnosis years, patients residing in rural areas were less likely to receive PORT following BCS compared to urban patients (aOR = 0.35; 95% CI 0.18–0.67).

Conclusions

Omission of PORT following BCS remains high among rural patients despite evidence that PORT leads to a significant reduction in the risk of local recurrence. Further research is needed to examine the impact of rural residence on treatment choices and develop methods to ensure equitable care among all breast cancer patients.
Systemic lupus erythematosus‐related acute pancreatitis: An exceptional form with severe exocrine and endocrine pancreatitic failure in a Tunisian child
Authors: Ferjani Maryem , El Euch Mounira , Hammi Yousra , Sayari Taha , Naija Ouns , Ben Hamida Fethi , Turki Sami , Gargah Tahar
Published: February 2022

Acute pancreatitis may be the first manifestation in systemic lupus erythematosus or occur during evolution. It is a rare complication, which is often associated with other visceral manifestations. Outcome is usually favorable but can be serious. We report a case of a 17‐year‐old girl with a past history of systemic lupus erythematosus who developed acute pancreatitis revealed by abdominal pain. Elevated serum amylase and lipase levels and pancreatic enlargement on tomography confirmed the diagnosis. Although high‐dose corticosteroid was prescribed, the patient died from a refractory diabetic ketoacidosis.
Effect of gem‐Difluorination on the Key Physicochemical Properties Relevant to Medicinal Chemistry: The Case of Functionalized Cycloalkanes
Authors: Holovach Sergey , Melnykov Kostiantyn P. , Skreminskiy Artem , Herasymchuk Maksym , Tavlui Olha , Aloshyn Danylo , Borysko Petro , Rozhenko Alexander B. , Ryabukhin Sergey V. , Volochnyuk Dmitriy M. , Grygorenko Oleksandr O.
Published: February 2022

Physico‐chemical properties important to drug discovery (pKa, LogP, and aqueous solubility), as well as metabolic stability, were studied for a series of functionalized gem‐difluorinated cycloalkanes and compared to those of non‐fluorinated and acyclic counterparts to evaluate the impact of the fluorination. It was found that the influence of the CF2 moiety on the acidity/basicity of the corresponding carboxylic acids and amines was defined by inductive the effect of the fluorine atoms and was nearly the same for acyclic and cyclic aliphatic compounds. Lipophilicity and aqueous solubility followed more complex trends and were affected by the position of the fluorine atoms, ring size, and even the nature of the functional group present; also, significant differences were found for the acyclic and cyclic series. Also, gem‐difluorination either did not affect or slightly improved the metabolic stability of the corresponding model derivatives. The presented results can be used as a guide for rational drug design employing fluorine and establish the first chapter in a catalog of the key in vitro properties of fluorinated cycloalkanes.
New mathematical measures for apprehending complexity of chiral molecules using information entropy
Authors: Piras Patrick
Published: February 2022

In this paper, we present several new theoretical measures based on information entropy that can be used to analyze the information content of a chiral molecule. Starting from a differentiation between “chiral” and “achiral” portions in a chiral molecule, we define a new concept that allows us to quantify the complexity of chiral constitutional 2D‐isomers of C10 to C20 alkanes. Various new chiral and achiral information measures founded on joint entropy, mutual information, and conditional entropy are presented providing an access to a set of regression equations. Then, introducing a case‐based measure of entropy, we demonstrate that the distribution of the chiral complexity in these molecules is mostly skewed‐right: 60% of the chiral isomers follow a 60/40 distribution rule, which indicates a concentration of chiral complexity in a small number of topological features. Furthermore, by replacing 2D topological distances by 3D distances, the application of these new information measures goes from conformational to racemization and deracemization studies. Interestingly, when the geometrical distances between atoms and the chiral center(s) are taken into account when determining the chiral information entropy, one can observe a significative Pearson correlation coefficient (R = 0.70) between the chiral entropy of 3D molecules and the continuous chirality measure. Finally, we show that our approach is applicable to almost any type of chiral organic chemical structures if in the entropy equation, atoms are represented by their electrotopological state (E‐state) index instead of connectivity.
Cooperative and feedback based authentic routing protocol for energy efficient IoT systems
Authors: Gayathri A. , Prabu A. V. , Rajasoundaran S. , Routray Sidheswar , Narayanasamy P. , Kumar Naween , Qi Yinan
Published: February 2022

The open communication medium of the Internet of Things (IoT) is more vulnerable to security attacks. As the IoT environment consists of distributed power limited units, the routing protocol used for distributed routing should be light‐weighted compared to other centralized networks. In this situation, complex security algorithms and routing mechanisms affect the generic data communications in IoT platforms. To handle this problem, this proposed system develops a cooperative and feedback‐based trustable energy‐efficient routing protocol (CFTEERP). This protocol calculates local trust value (LTV) and global trust value (GTV) of each node using node attributes and K‐means‐based feedback evaluation procedures. The K‐means clustering algorithm leaves out the distorted node routing metrics and misbehaving node metrics for all channels. This proposed CFTEERP uses the nearest secure node costs to increase the network lifetime without selecting the nearest nodes for routing the data. In this work, secure routing is initiated using multipath routing strategy that analyses LTV, GTV, next trustable node, average throughput, energy consumption, average packet delivery ratio (PDR) and traffic various metrics of entire IoT communication. The technical aspects of proposed system are implemented to solve different existing techniques' limitations. In the comparative experiment, the proposed method provides 90% of PDR and a minimal energy consumption rate of 25% lesser than the existing systems against different malicious attacks.
Formation of Temporary Negative Ions and Their Subsequent Fragmentation upon Electron Attachment to CoQ0 and CoQ0H2
Authors: Ameixa João , Arthur‐Baidoo Eugene , Pereira‐da‐Silva João , Ruivo Júlio C. , T. do N. Varella Márcio , Beyer Martin K. , Ončák Milan , Ferreira da Silva Filipe , Denifl Stephan
Published: February 2022

Ubiquinone molecules have a high biological relevance due to their action as electron carriers in the mitochondrial electron transport chain. Here, we studied the dissociative interaction of free electrons with CoQ0, the smallest ubiquinone derivative with no isoprenyl units, and its fully reduced form, 2,3‐dimethoxy‐5‐methylhydroquinone (CoQ0H2), an ubiquinol derivative. The anionic products produced upon dissociative electron attachment (DEA) were detected by quadrupole mass spectrometry and studied theoretically through quantum chemical and electron scattering calculations. Despite the structural similarity of the two studied molecules, remarkably only a few DEA reactions are present for both compounds, such as abstraction of a neutral hydrogen atom or the release of a negatively charged methyl group. While the loss of a neutral methyl group represents the most abundant reaction observed in DEA to CoQ0, this pathway is not observed for CoQ0H2. Instead, the loss of a neutral OH radical from the CoQ0H2 temporary negative ion is observed as the most abundant reaction channel. Overall, this study gives insights into electron attachment properties of simple derivatives of more complex molecules found in biochemical pathways.
Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
Authors: Kupfer Stephan , Wächtler Maria , Guthmuller Julien
Published: February 2022

The performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light‐harvesting efficiency in the visible region, population of long‐lived charge‐separated intermediates, as well as their charge‐accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)‐based black dye (Ru) incorporating a chromophoric unit based on a thiazole donor‐acceptor push‐pull motif. The combination of two light‐harvesting units, that is, the Ru(II)polypyridyl and the thiazole‐based organic dye, yields close‐lying metal‐to‐ligand charge transfer (MLCT) states, involving both ligand spheres as well as intra‐ligand charge transfer (ILCT) states of the organic dye. Due to the combination of inorganic and organic chromophores the computational modelling of the photophysics of Ru is challenging. To this aim, time‐dependent density functional theory and multiconfigurational methods are applied. The excited‐state properties obtained for the states of interest are rationalized by electronic absorption and resonance Raman spectroscopies. The CAM‐B3LYP functional was found to accurately describe the ground‐ and excited‐state properties of Ru. Finally, excited‐state relaxation pathways and the multi‐charge‐accumulation capacity were addressed. Despite the unidirectional nature of the MLCTthia and ILCTthia transitions, the thiazole unit is merely capable to store one redox equivalent.
Review finds positives and few negatives for ECT in children and adolescents
Authors: Knopf Alison
Published: February 2022

Treating mood disorders in children and adolescents with electroconvulsive therapy (ECT) should be considered in severe cases which do not respond to other treatments, researchers have found in a literature review. There are mostly case studies, but many are moderate‐sized and across different settings, with an alignment of findings, according to the research.
Exploration of INSM1 and hASH1 as additional markers in lung cytology samples of high‐grade neuroendocrine carcinoma with indeterminate neuroendocrine differentiation
Authors: Rothrock Aimi Toyama , Stewart Jimmie , Li Faqian , Racila Emilian , Amin Khalid
Published: February 2022

Background

Traditional neuroendocrine (NE) markers synaptophysin, chromogranin, and CD56 play an integral role in affirming the diagnosis of high‐grade lung NE carcinoma, however promising markers, INSM1, and hASH1, have been identified. We investigated the utility of these markers in pulmonary cytology specimens, particularly in cases where results of traditional NE markers were equivocal.

Methods

A retrospective search of cytology cases obtained via endobronchial ultrasound (EBUS)‐guided FNA revealed 26 cases of high‐grade lung carcinoma where an indeterminate diagnosis of small‐cell lung carcinoma (SCLC) was based on equivocal IHC staining with traditional NE markers. A separate cohort of 23 cases positive for all traditional markers with a definitive diagnosis of SCLC was also selected. Cytology cellblock sections were immunostained with INSM1 and hASH1 and analyzed using H‐score methodology (score range 0–300). A score of ≥95 was considered “positive.”

Results

INSM1 was positive in 19/24 (79.2%) of cases of high‐grade lung carcinoma with indeterminate NE differentiation, while hASH1 was positive in 6/24 (25.0%). Chromogranin was seen only focally positive (<10% of cells) in 4/24 (16.7%), synaptophysin positive in 16/24 (66.7%), and CD56 positive in 14/21 (66.7%). Among unambiguous cases, INSM1 was positive in all cases with an average score of 233.9, while hASH1 was positive in 21/23 (91.3%) with an average score of 196.3.

Conclusion

Compared with traditional NE stains and to hASH1, INSM1 was expressed in a higher number of cases of high‐grade lung NE carcinomas in cytology cellblock specimens, making it a superior, more sensitive NE marker.
Optimizing trilateration estimates for tracking fine‐scale movement of wildlife using automated radio telemetry networks
Authors: Paxton Kristina L. , Baker Kayla M. , Crytser Zia B. , Guinto Ray Mark P. , Brinck Kevin W. , Rogers Haldre S. , Paxton Eben H.
Published: February 2022

A major advancement in the use of radio telemetry has been the development of automated radio tracking systems (ARTS), which allow animal movements to be tracked continuously. A new ARTS approach is the use of a network of simple radio receivers (nodes) that collect radio signal strength (RSS) values from animal‐borne radio transmitters. However, the use of RSS‐based localization methods in wildlife tracking research is new, and analytical approaches critical for determining high‐quality location data have lagged behind technological developments. We present an analytical approach to optimize RSS‐based localization estimates for a node network designed to track fine‐scale animal movements in a localized area. Specifically, we test the application of analytical filters (signal strength, distance among nodes) to data from real and simulated node networks that differ in the density and configuration of nodes. We evaluate how different filters and network configurations (density and regularity of node spacing) may influence the accuracy of RSS‐based localization estimates. Overall, the use of signal strength and distance‐based filters resulted in a 3‐ to 9‐fold increase in median accuracy of location estimates over unfiltered estimates, with the most stringent filters providing location estimates with a median accuracy ranging from 28 to 73 m depending on the configuration and spacing of the node network. We found that distance filters performed significantly better than RSS filters for networks with evenly spaced nodes, but the advantage diminished when nodes were less uniformly spaced within a network. Our results not only provide analytical approaches to greatly increase the accuracy of RSS‐based localization estimates, as well as the computer code to do so, but also provide guidance on how to best configure node networks to maximize the accuracy and capabilities of such systems for wildlife tracking studies.
Social structure of perennialVespula squamosawasp colonies
Authors: Dyson Carl J. , Crossley Henry G. , Ray Charles H. , Goodisman Michael A. D.
Published: February 2022

Many social species show variation in their social structure in response to different environmental conditions. For example, colonies of the yellowjacket waspVespula squamosaare typically headed by a single reproductive queen and survive for only a single season. However, in warmer climates,V. squamosacolonies sometimes persist for multiple years and can grow to extremely large size. We used genetic markers to understand patterns of reproduction and recruitment within these perennial colonies. We genotypedV. squamosaworkers, pre‐reproductive queens, and males from perennial colonies in the southeastern United States at 10 polymorphic microsatellite loci and one mitochondrial DNA locus. We found thatV. squamosafrom perennial nests were produced by multiple reproductives, in contrast to typical annual colonies. Relatedness of nestmates from perennial colonies was significantly lower than relatedness of nestmates from annual colonies. Our analyses of mitochondrial DNA indicated that mostV. squamosaperennial colonies represented semiclosed systems whereby all individuals belonged to a single matriline despite the presence of multiple reproductive females. However, new queens recruited into perennial colonies apparently mated with non‐nestmate males. Notably, perennial and annual colonies did not show significant genetic differences, supporting the hypothesis that perennial colony formation represents an instance of social plasticity. Overall, our results indicate that perennialV. squamosacolonies show substantial changes to their social biology compared to typical annual colonies and demonstrate variation in social behaviors in highly social species.
Advanced Liver Fibrosis Correlates With Impaired Efficacy of Pfizer‐BioNTech COVID‐19 Vaccine in Medical Employees
Authors: Shafrir Asher , Amer Johnny , Hakimian David , Milgrom Yael , Massarwa Muhammad , Hazou Wadi , Imam Ashraf , Khalaileh Abed , Safadi Rifaat
Published: February 2022

The Pfizer‐BioNTech coronavirus disease 2019 (COVID‐19) vaccine has been offered to nonallergic ≥16‐year‐old Israeli adults since December 19, 2020. Data regarding factors associated with vaccine ineffectiveness are limited. The aim of this study is to assess the impact of hepatic fibrosis on the efficacy of the BioNTech vaccine. Serum severe acute respiratory syndrome coronavirus 2 spike immunoglobulins (S IgG) obtained at least 7 days following vaccination completion was correlated with the prevaccine calculated Fibrosis‐4 (FIB‐4) score among 719 employees in the Hadassah Medical Center, Jerusalem. Positive vaccine response (S IgG levels ≥ 19 AU/mL) was found in 708 of 719 individuals (98.5%). Vaccine failure (S IgG levels < 19) was found in 11 (1.5%); of these, 7 were immunosuppressed. Mean FIB‐4 available in 501 of 708 vaccine responders was 1.13 ± 0.66, mean age 51.4 ± 12.4 years (29.3% males), and mean S IgG titers 239.7 ± 86.1 AU/mL. Similar to the general population, 70.5% had normal FIB‐4 (<1.3), 26.8% undetermined FIB‐4 (1.3‐2.67), and 2.7% advanced FIB‐4 (>2.67). When divided into response subgroups, 158 of 501 individuals (30.1%) with IgG titers 19‐100 AU/mL had a mean FIB‐4 of 1.48 ± 0.82; 198 (39.5%) with IgG titers 101‐200 AU/mL had mean FIB‐4 of 1.22 ± 0.76; 83 (16.6%) with titers 201‐300 AU/mL had mean FIB‐4 of 1.04 ± 0.48; 38 (7.6%) individuals with IgG titers 301‐400 AU/ml had a mean FIB‐4 of 1.08 ± 0.63; and 121 (24.2%) with IgG titers >400 AU/mL had mean FIB‐4 of 1.18 ± 0.87. Increased FIB‐4, age, and male gender significantly correlated with lower postvaccine IgG titers (P < 0.001). FIB‐4 results were confirmed using FibroScan data displaying advanced fibrosis impact on weakened COVID‐19 vaccine response. Conclusion: Immune suppression, older age, male gender, and advanced chronic liver disease are risk factors for lower vaccine response. The FIB‐4 provides a simple tool to prioritize candidates for third‐dose vaccine booster.
Effect of Omega‐3 Polyunsaturated Fatty Acids on Lipid Metabolism in Patients With Metabolic Syndrome and NAFLD
Authors: Šmíd Václav , Dvořák Karel , Šedivý Petr , Kosek Vít , Leníček Martin , Dezortová Monika , Hajšlová Jana , Hájek Milan , Vítek Libor , Bechyňská Kamila , Brůha Radan
Published: February 2022

Nonalcoholic fatty liver disease (NAFLD) is the most common chronic liver disease. n‐3 polyunsaturated fatty acids (n‐3‐PUFAs) have been reported to ameliorate the progression of NAFLD in experimental studies; however, clinical trials have yielded contradictory results. The aim of our study was to assess the effects of n‐3‐PUFA administration on lipid metabolism and the progression of NAFLD in patients with metabolic syndrome. Sixty patients with metabolic syndrome and NAFLD were randomized in a double‐blind placebo‐controlled trial (3.6 g/day n‐3‐PUFA vs. placebo). During the 1‐year follow‐up, the patients underwent periodic clinical and laboratory examinations, liver stiffness measurements, magnetic resonance spectroscopy of the liver, and plasma lipidomic analyses. After 12 months of n‐3‐PUFA administration, a significant decrease in serum GGT activity was recorded compared with the placebo group (2.03 ± 2.8 vs. 1.43 ± 1.6; P < 0.05). Although no significant changes in anthropometric parameters were recorded, a significant correlation between the reduction of liver fat after 12 months of treatment—and weight reduction—was observed; furthermore, this effect was clearly potentiated by n‐3‐PUFA treatment (P < 0.005). In addition, n‐3‐PUFA treatment resulted in substantial changes in the plasma lipidome, with n‐3‐PUFA‐enriched triacylglycerols and phospholipids being the most expressed lipid signatures. Conclusion: Twelve months of n‐3‐PUFA treatment of patients with NAFLD patients was associated with a significant decrease in GGT activity, the liver fat reduction in those who reduced their weight, and beneficial changes in the plasma lipid profile.
Neurological disorders in HIV: Hope despite challenges
Authors: Uwishema Olivier , Ayoub Georges , Badri Rawa , Onyeaka Helen , Berjaoui Christin , Karabulut Ece , Anis Heeba , Sammour Christophe , Mohammed Yagoub Fatima E. A. , Chalhoub Elie
Published: February 2022

Introduction

Human Immunodeficiency virus (HIV) is a virus that causes several diseases by attacking the human immune system. It is transmitted by contact with certain bodily fluids of an infected person, most commonly during unprotected sex, through sharing needles, or from mother to baby during pregnancy, birth or breastfeeding. The central nervous system is not spared from this virus, as HIV has been shown to induce several neurological disorders. However most neurological pathologies (such as dementia, infections, meningitis, and neuropathy) rarely show until late stages, in this case, after the patients develop acquired immunodeficiency syndrome (AIDS). This article aims to review the neurological disorders in the HIV population and the attempts initiated to limit the disease.

Methodology

Data were collected from medical journals published on PubMed, Ovid MEDLINE, Science Direct and Embase bibliographical databases with a predefined search strategy. All articles considering neurological disorders associated with HIV were considered.

Results

To date, the pathogenesis of HIV‐associated neurological complications remains poorly elucidated; thus, imposing a hindrance and limitations on the treatment options. Nevertheless, some studies have reported alterations in dendritic spine as the causative agent for developing brain damage.

Conclusion

HIV remains one of the most serious global health challenges, with neurological manifestations imposing a major concern among patients with HIV. Despite the availability and efficacy of antiretroviral therapies, yet, the risk of developing neurological complications remains relatively high among patients with HIV. Thus, the 2030 HIV vision must focus on further preventive measures to protect HIV patients from developing such neurological complications.
The relationship between MHC−peptide interaction and resistance to virus in chickens
Authors: Jin Yuan‐chang , Li Yu‐feng , Jiang Li‐xia , Wang Wei , Zheng Chuan‐dan , Chen Ming‐li , Wu Yu‐jie , Dai Juan , Chen Jing‐fen , Yu Min‐min , Zeng Gang , Hao Mei‐lin , Zeng Bo‐ping
Published: February 2022

Introduction

The MHC‐peptide interaction has a subtle influence on host resistance to virus. This paper aims to study the relationship between MHC‐peptide interaction and MHC‐related virus‐resistance.

Methods

By 3D homology modeling, the structure of chicken BF2 molecule BF2*0201 (PDB code: 4d0d) was studied and compared with the known structures of BF2 molecule BF2*0401 (PDB code: 4e0r) to elucidate the characteristics of BF2*0201‐binding antigenic peptides.

Results

The results show that due to the amino acid difference between the two binding groove of 4e0r and 4d0d, the size of the binding groove of the two are 1130 Å³ and1380 Å³ respectively, indicating the amino acid species that 4e0r binding peptide has lower selectivity than 4d0d; and because of large side chain conformation of Arg (especially Arg111) of 4e0r replaced by small side chain Tyr111 of 4d0d, the volume of central part of the binding groove of 4d0d is obviously larger than that of 4e0r, indicating that the restrictive of binding antigenic peptides for 4d0d is narrower than that of 4e0r; and on account of the chargeability of the binding groove of the two are different, namely the binding groove chargeability of 4e0r (strong positive polarity) and 4d0d (weak negative polarity).

Conclusion

There are generally more peptides presented by the BF2 of B2 haplotype than by that of B4 haplotype, leading to more resistance of B2 than that of B4 to virus.
From the Felkin‐Anh Rule to the Grignard Reaction: an Almost Circular 50 Year Adventure in the World of Molecular Structures and Reaction Mechanisms with Computational Chemistry**
Authors: Eisenstein Odile
Published: February 2022

This rosarium article relates the adventure started 50 years ago of a computational chemist who was interested in molecules; what are they, what are their shape and how do they react. The story describes results, still valid today, obtained with highly simplified models of chemical reality and elementary computational methods and the gain resulting from the use of better models and more elaborate computational methods. It was necessary to select examples. In this presentation, focus is on hydride and dihydrogen complexes as well as on nucleophiles. Nucleophiles were considered as free hydrides in gas phase at the start of the rosarium while the Grignard reaction is treated with ab initio molecular mechanisms at the end of it.
Community college practices regarding the collection of LGBTQ+ student data
Authors: Doan Kurt B.
Published: February 2022

In this chapter, the author examines the extent to which community colleges invite students to share their sexual orientation and gender identity (SOGI) data, and the barriers to collecting such data. The author also underscores the important role that higher education professionals, particularly those in institutional research, can play in advocating for sexual minority students.
Building capacities on campus for equity‐focused data: The equity liaison program at University of Wisconsin–La Crosse
Authors: Engen Graciela E. , Solverson Natalie Walleser
Published: February 2022

While many campuses have access to and publish equity‐focused data, it can be difficult to share that data with the campus community in a way that engages multiple offices. This article outlines the Equity Liaison Initiative at the University of Wisconsin–La Crosse, which engages individuals from most offices on campus with equity‐focused data to affect change in their individual departments. We provide an overview of the development of the Equity Liaison Initiative, some lessons we learned through the process, discuss potential directions for the program and identify future challenges we expect to encounter.