bluuebunny/crossref_metadata_2025 huggingface dataset:
Baseflow Statistics in Aggregated Catchments
Authors: Di Dato Mariaines , Bellin Alberto , Cvetkovic Vladimir , Dagan Gedeon , Dietrich Peter , Fiori Aldo , Teutsch Georg , Zech Alraune , Attinger Sabine
Published: December 2023

This paper employs stochastic analysis to investigate the combined effect of temporal and spatial variability on the temporal variance of baseflow in large catchments. The study makes use of the well‐known aggregated reservoir model, representing the catchment as a network of parallel linear reservoirs. Each reservoir models a sub‐catchment as an independent unit whose discharge temporal variation is characterized by a response time. By treating the rainfall‐generated recharge and the sub‐catchment response times as random variables, the statistical temporal moments of total baseflow are quantified. Comparisons are made between the temporal variance of baseflow in the aggregated reservoir model and that of a single homogeneous reservoir to define an upscaled response time. The analysis of the statistical moments of the random baseflow reveals that the number of reservoirs N has a weak impact on baseflow variance, with ergodic conditions achieved even with a small number of reservoirs. The study highlights that the ratio between the recharge correlation time and the geometric mean of the sub‐catchment response times plays a critical role in baseflow damping and the upscaled response. The results indicate that the dynamics of baseflow generation depend not only on the catchment hydro‐geological structure but also on the variability of the input signal. This research underscores the importance of understanding the combined influences of hydro‐geological factors and recharge input variability for baseflow prediction under uncertainty. The present study should be regarded as a first step, setting the theoretical framework for future research toward incorporating field data.
Prevalence and network structure of post-traumatic stress symptoms and their association with suicidality among Chinese mental health professionals immediately following the end of China’s Dynamic Zero-COVID Policy: a national survey
Authors: Chen Pan , Zhang Ling , Feng Yuan , An Feng-Rong , Su Zhaohui , Cheung Teris , Lok Ka-In , Ungvari Gabor S. , Jackson Todd , Xiang Yu-Tao , Zhang Qinge
Published: December 2023

Studies on post-traumatic stress symptoms (PTSS) among mental health professionals (MHPs) are limited, particularly since restrictions due to coronavirus disease (COVID-19) have been lifted such as the recent termination of China’s Dynamic Zero-COVID Policy. The current study filled this gap by exploring the prevalence, correlates, and network structure of PTSS as well as its association with suicidality from a network analysis perspective. A cross-sectional, national survey was conducted using a convenience sampling method on MHPs between January 22 and February 10, 2023. PTSS were assessed using the Post-Traumatic Stress Disorder Checklist-Civilian version, while suicidality was assessed using standardized questions related to ideation, plans, and attempts. Univariate and multivariate analyses examined correlates of PTSS. Network analysis explored the structure of PTSS and suicidality. The centrality index of “Expected influence” was used to identify the most central symptoms in the network, reflecting the relative importance of each node in the network. The “flow” function was adopted to identify specific symptoms that were directly associated with suicidality. A total of 10,647 MHPs were included. The overall rates of PTSS and suicidality were 6.7% (n = 715; 95% CI = 6.2–7.2%) and 7.7% (n = 821; 95% CI = 7.2–8.2%), respectively. Being married (OR = 1.523; P < 0.001), quarantine experience (OR = 1.288; P < 0.001), suicidality (OR = 3.750; P < 0.001) and more severe depressive symptoms (OR = 1.229; P < 0.001) were correlates of more PTSS. Additionally, higher economic status (e.g., good vs. poor: OR = 0.324; P = 0.001) and health status (e.g., good vs. poor: OR = 0.456; P < 0.001) were correlates of reduced PTSS. PCL6 (“Avoiding thoughts”; EI = 1.189), PCL7 (“Avoiding reminders”; EI = 1.157), and PCL11 (“Feeling emotionally numb”; EI = 1.074) had the highest centrality, while PCL12 (“Negative belief”), PCL 16 (“Hypervigilance”) and PCL 14 (“Irritability”) had the strongest direct, positive associations with suicidality. A high prevalence of lingering PTSS was found among MHPs immediately after China’s “Dynamic Zero-COVID Policy” was terminated. Avoidance and hyper-arousal symptoms should be monitored among at-risk MHPs after the COVID-19 pandemic and serve as potential targets for the prevention and treatment of PTSS in this population.
Cross-linking polybutadiene rubber via a thiol-ene reaction with polycysteine as a degradable cross-linker
Authors: Tsuchiya Kousuke , Terada Kayo , Tsuji Yui , Law Simon Sau Yin , Masunaga Hiroyasu , Katashima Takuya , Sakai Takamasa , Numata Keiji
Published: December 2023

Covalently cross-linked rubber materials are widely used in elastic applications due to their excellent mechanical properties. However, the irreversibility of covalent cross-linking suffers from poor material recyclability. As a degradable polypeptide-based cross-linker for polybutadiene, poly(l-cysteine) (polyCys) was synthesized via papain-catalyzed chemoenzymatic polymerization. The resulting polyCys had intact thiol groups that cross-linked polybutadiene via the thiol-ene reaction. The cross-linking reaction of polybutadiene was performed in the presence of polyCys and a radical initiator and resulted in insoluble polybutadiene gel formation. Based on Raman spectroscopy analysis, the cross-linking reaction was confirmed by the consumption of thiol groups of polyCys. From the dynamic viscoelastic analyses of the cross-linked polybutadienes, the viscoelasticity drastically changed from that of raw polybutadiene, with the disappearance of the slow relaxation mode at low frequencies. The complete network formation was confirmed by E′ and E′′ showing the power law over the whole frequency range, as determined by the time-course experiments of the dynamic viscoelastic properties. The cross-linked polybutadiene was degradable by acid hydrolysis, resulting in the regeneration of soluble polybutadiene. Polypeptide cross-linked polybutadiene materials are promising candidates for the application of polybutadiene-based rubber materials with the requirements of both material integrity and reusability.
Essential transcription factors for induced neuron differentiation
Authors: Lu Congyi , Garipler Görkem , Dai Chao , Roush Timothy , Salome-Correa Jose , Martin Alex , Liscovitch-Brauer Noa , Mazzoni Esteban O. , Sanjana Neville E.
Published: December 2023

Neurogenins are proneural transcription factors required to specify neuronal identity. Their overexpression in human pluripotent stem cells rapidly produces cortical-like neurons with spiking activity and, because of this, they have been widely adopted for human neuron disease models. However, we do not fully understand the key downstream regulatory effectors responsible for driving neural differentiation. Here, using inducible expression of NEUROG1 and NEUROG2, we identify transcription factors (TFs) required for directed neuronal differentiation by combining expression and chromatin accessibility analyses with a pooled in vitro CRISPR-Cas9 screen targeting all ~1900 TFs in the human genome. The loss of one of these essential TFs (ZBTB18) yields few MAP2-positive neurons. Differentiated ZBTB18-null cells have radically altered gene expression, leading to cytoskeletal defects and stunted neurites and spines. In addition to identifying key downstream TFs for neuronal differentiation, our work develops an integrative multi-omics and TFome-wide perturbation platform to rapidly characterize essential TFs for the differentiation of any human cell type.
Uncertainties in critical slowing down indicators of observation-based fingerprints of the Atlantic Overturning Circulation
Authors: Ben-Yami Maya , Skiba Vanessa , Bathiany Sebastian , Boers Niklas
Published: December 2023

Observations are increasingly used to detect critical slowing down (CSD) to measure stability changes in key Earth system components. However, most datasets have non-stationary missing-data distributions, biases and uncertainties. Here we show that, together with the pre-processing steps used to deal with them, these can bias the CSD analysis. We present an uncertainty quantification method to address such issues. We show how to propagate uncertainties provided with the datasets to the CSD analysis and develop conservative, surrogate-based significance tests on the CSD indicators. We apply our method to three observational sea-surface temperature and salinity datasets and to fingerprints of the Atlantic Meridional Overturning Circulation derived from them. We find that the properties of these datasets and especially the specific gap filling procedures can in some cases indeed cause false indication of CSD. However, CSD indicators in the North Atlantic are still present and significant when accounting for dataset uncertainties and non-stationary observational coverage.
Orphan quality control by an SCF ubiquitin ligase directed to pervasive C-degrons
Authors: Kong Ka-Yiu Edwin , Shankar Susmitha , Rühle Frank , Khmelinskii Anton
Published: December 2023

Selective protein degradation typically involves substrate recognition via short linear motifs known as degrons. Various degrons can be found at protein termini from bacteria to mammals. While N-degrons have been extensively studied, our understanding of C-degrons is still limited. Towards a comprehensive understanding of eukaryotic C-degron pathways, here we perform an unbiased survey of C-degrons in budding yeast. We identify over 5000 potential C-degrons by stability profiling of random peptide libraries and of the yeast C‑terminome. Combining machine learning, high-throughput mutagenesis and genetic screens reveals that the SCF ubiquitin ligase targets ~40% of degrons using a single F-box substrate receptor Das1. Although sequence-specific, Das1 is highly promiscuous, recognizing a variety of C-degron motifs. By screening for full-length substrates, we implicate SCFDas1 in degradation of orphan protein complex subunits. Altogether, this work highlights the variety of C-degron pathways in eukaryotes and uncovers how an SCF/C-degron pathway of broad specificity contributes to proteostasis.
A manifold-based framework for studying the dynamics of the vaginal microbiome
Authors: Tsamir-Rimon Mor , Borenstein Elhanan
Published: December 2023

The vaginal microbiome plays a crucial role in our health. The composition of this community can be classified into five community state types (CSTs), four of which are primarily consisted of Lactobacillus species and considered healthy, while the fifth features non-Lactobacillus populations and signifies a disease state termed Bacterial vaginosis (BV), which is associated with various symptoms and increased susceptibility to diseases. Importantly, however, the exact mechanisms and dynamics underlying BV development are not yet fully understood, including specifically possible routes from a healthy to a BV state. To address this gap, this study set out to characterize the progression from healthy- to BV-associated compositions by analyzing 8026 vaginal samples and using a manifold-detection framework. This approach, inspired by single-cell analysis, aims to identify low-dimensional trajectories in the high-dimensional composition space. It further orders samples along these trajectories and assigns a score (pseudo-time) to each analyzed or new sample based on its proximity to the BV state. Our results reveal distinct routes of progression between healthy and BV states for each CST, with pseudo-time scores correlating with community diversity and quantifying the health state of each sample. Several BV indicators can also be successfully predicted based on pseudo-time scores, and key taxa involved in BV development can be identified using this approach. Taken together, these findings demonstrate how manifold detection can be used to successfully characterize the progression from healthy Lactobacillus-dominant populations to BV and to accurately quantify the health condition of new samples along the route of BV development.
Many-body potential for simulating the self-assembly of polymer-grafted nanoparticles in a polymer matrix
Authors: Zhou Yilong , Bore Sigbjørn Løland , Tao Andrea R. , Paesani Francesco , Arya Gaurav
Published: December 2023

Many-body interactions between polymer-grafted nanoparticles (NPs) play a key role in promoting their assembly into low-dimensional structures within polymer melts, even when the particles are spherical and isotropically grafted. However, capturing such interactions in simulations of NP assembly is very challenging because explicit modeling of the polymer grafts and melt chains is highly computationally expensive, even using coarse-grained models. Here, we develop a many-body potential for describing the effective interactions between spherical polymer-grafted NPs in a polymer matrix through a machine-learning approach. The approach involves using permutationally invariant polynomials to fit two- and three-body interactions derived from the potential of mean force calculations. The potential developed here reduces the computational cost by several orders of magnitude, thereby, allowing us to explore assembly behavior over large length and time scales. We show that the potential not only reproduces previously known assembled phases such as 1D strings and 2D hexagonal sheets, which generally cannot be achieved using isotropic two-body potentials, but can also help discover interesting phases such as networks, clusters, and gels. We demonstrate how each of these assembly morphologies intrinsically arises from a competition between two- and three-body interactions. Our approach for deriving many-body effective potentials can be readily extended to other colloidal systems, enabling researchers to make accurate predictions of their behavior and dissect the role of individual interaction energy terms of the overall potential in the observed behavior.
Geometric trust-based secure localization technique for resiliency of GPS outage and location error in vehicular cyber-physical systems (VCPS)
Authors: N Nithiyanandam , M Rajesh , Ramachandran Sitharthan , K Vengatesan , A Mohamed Imran , C Dhanamjayulu , Khan Baseem
Published: December 2023

Management of vehicle traffic is a challenging task as it is non-deterministic by nature. Vehicular Cyber-Physical Systems (VCPS) is the emerging field of dynamics of vehicle management. Vehicle localization is considered an important task in VCPS. Many researchers proposed methodologies for this based on the Global Positioning System (GPS) which poses few location identification errors. Also, there are more vulnerabilities to the existing vehicular positioning system due to Zig-Zag attacks and bad-mouth attacks. In this work, an error-free and secure environment for communication between dynamically moving vehicle models has been proposed. In our proposed model a localization technique based on mathematical geometry which is capable of GPS outages and encompasses the dynamism of vehicle and on-road trajectory has been developed. The proposed model includes Extended Kalman filter-based routing to predict the neighbouring vehicle position. To avoid vulnerabilities created by the malicious nodes, a trust-based computation is performed by each node on its neighbours perceiving the authenticity of received messages. To validate the methodology, NS2 tool has been used to simulate the VCPS and to test the efficiency with different scenarios such as erroneous location, GPS outage, and malicious attack. The result shows that the proposed approach is more optimal and secure than the existing methodologies.
An immunoinformatics study reveals a new BoLA-DR-restricted CD4+ T cell epitopes on the Gag protein of bovine leukemia virus
Authors: Pluta Aneta , Taxis Tasia Marie , van der Meer Frank , Shrestha Sulav , Qualley Dominic , Coussens Paul , Rola-Łuszczak Marzena , Ryło Anna , Sakhawat Ali , Mamanova Saltanat , Kuźmak Jacek
Published: December 2023

Bovine leukemia virus (BLV) is the causative agent of enzootic bovine leucosis (EBL), which has been reported worldwide. The expression of viral structural proteins: surface glycoprotein (gp51) and three core proteins - p15 (matrix), p24 (capsid), and p12 (nucleocapsid) induce a strong humoral and cellular immune response at first step of infection. CD4+ T-cell activation is generally induced by bovine leukocyte antigen (BoLA) region– positive antigen-presenting cells (APC) after processing of an exogenous viral antigen. Limited data are available on the BLV epitopes from the core proteins recognized by CD4+ T-cells. Thus, immunoinformatic analysis of Gag sequences obtained from 125 BLV isolates from Poland, Canada, Pakistan, Kazakhstan, Moldova and United States was performed to identify the presence of BoLA-DRB3 restricted CD4+ T-cell epitopes. The 379 15-mer overlapping peptides spanning the entire Gag sequence were run in BoLA-DRB3 allele-binding regions using a BoLA-DRB- peptide binding affinity prediction algorithm. The analysis identified 22 CD4+ T-cell peptide epitopes of variable length ranging from 17 to 22 amino acids. The predicted epitopes interacted with 73 different BoLA-DRB3 alleles found in BLV-infected cattle. Importantly, two epitopes were found to be linked with high proviral load in PBMC. A majority of dominant and subdominant epitopes showed high conservation across different viral strains, and therefore could be attractive targets for vaccine development.
Exploration of a wide bandgap semiconducting supramolecular Mg(II)-metallohydrogel derived from an aliphatic amine: a robust resistive switching framework for brain-inspired computing
Authors: Karmakar Kripasindhu , Roy Arpita , Dhibar Subhendu , Majumder Shantanu , Bhattacharjee Subham , Rahaman S. K. Mehebub , Saha Ratnakar , Chatterjee Priyajit , Ray Soumya Jyoti , Saha Bidyut
Published: December 2023

A rapid metallohydrogelation strategy has been developed of magnesium(II)-ion using trimethylamine as a low molecular weight gelator in water medium at room temperature. The mechanical property of the synthesized metallohydrogel material is established through the rheological analysis. The nano-rose like morphological patterns of Mg(II)-metallohydrogel are characterized through field emission scanning electron microscopic study. The energy dispersive X-ray elemental mapping analysis confirms the primary gel forming elements of Mg(II)-metallohydrogel. The possible metallohydrogel formation strategy has been analyzed through FT-IR spectroscopic study. In this work, magnesium(II) metallohydrogel (Mg@TMA) based metal–semiconductor-metal structures have been developed and charge transport behaviour is studied. Here, it is confirmed that the magnesium(II) metallohydrogel (Mg@TMA) based resistive random access memory (RRAM) device is showing bipolar resistive switching behaviour at room temperature. We have also explored the mechanism of resistive switching behaviour using the formation (rupture) of conductive filaments between the metal electrodes. This RRAM devices exhibit excellent switching endurance over 10,000 switching cycles with a large ON/OFF ratio (~ 100). The easy fabrication techniques, robust resistive switching behaviour and stability of the present system makes these structures preferred candidate for applications in non-volatile memory design, neuromorphic computing, flexible electronics and optoelectronics etc.
Toddlers’ sensitivity to dominance traits from faces
Authors: Galusca Cristina-Ioana , Mermillod Martial , Dreher Jean-Claude , van der Henst Jean-Baptiste , Pascalis Olivier
Published: December 2023

In adults, seeing individual faces is sufficient to trigger dominance evaluations, even when conflict is absent. From early on, infants represent dyadic dominance relations and they can infer conflict outcomes based on a variety of cues. To date, it is unclear if toddlers also make automatic dominance trait evaluations of individual faces. Here we asked if toddlers are sensitive to dominance traits from faces, and whether their sensitivity depends on their face experience. We employed a visual preference paradigm to study 18- and 24-month-old toddlers’ sensitivity to dominance traits from three types of faces: artificial, male, female. When presented with artificial faces (Experiment 1), 18- and 24-month-olds attended longer to the non-dominant faces, but only when they were in upright orientation. For real male faces (Experiment 2), toddlers showed equivalent looking durations to the dominant and non-dominant upright faces. However, when looking at female faces (Experiment 3), toddlers displayed a visual preference for the upright non-dominant faces at 24 months. To our knowledge, this is the first study to show that toddlers already display sensitivity to facial cues of dominance from 18 months of age, at least for artificial face stimuli.
“In House” assays for the quantification of Annexin V and its autoantibodies in patients with recurrent pregnancy loss and in vitro fertilisation failures
Authors: Murad Hossam , Ali Bouthina , Twair Aya , Baghdadi Khaled , Alhalabi Marwan , Abbady Abdul Qader
Published: December 2023

Several studies have been shown that Annexin V (ANXV) autoantibodies concentrations are associated with both early recurrent pregnancy losses (RPLs) or in vitro fertilization failure (IVFf). We investigated the association between ANXV autoantibodies and ANVX levels in RPL, IVFf and normal group women. The study was conducted on 22 female patients with RPLs, 66 patients with IVFf, and 16 normal samples from women who had given birth. ANXV autoantibodies were measured using an ELISA test developed by fixing a homemade recombinant ANXV protein and examined with labeled human antibodies, while ANXV concentrations were measured by a competitive ELISA using a homemade anti ANXV polyclonal antibody. The results showed a clear relationship between the high levels of ANXV autoantibodies and the recurrent abortion. On the other hand, ANXV measurement in those patients showed decreased concentrations compared to normal samples. Negative correlation between ANXV and its autoantibodies levels was reported in almost all patients’ samples. Our data supports the possibility that ANXV autoantibodies are a risk factor for reproductive failures associated with both RPLs and/or IVFf and the significant role for ANXV in the maintenance of pregnancy.
Relational reasoning in wild bumblebees revisited: the role of distance
Authors: Martin-Ordas Gema
Published: December 2023

In reasoning tasks, non-human animals attend more to relational than to object similarity. It is precisely this focus on relational similarity that has been argued to explain the reasoning gap between humans and other animals. Work with humans has revealed that objects placed near each other are represented to be more similar than objects placed farther apart. Will distance between objects also affect non-human animals’ abilities to represent and reason about objects? To test this, wild bumblebees were presented with a spatial reasoning task (with competing object matches) in which the objects or features alone (colour, shape) were placed close together or far apart. Bumblebees spontaneously attended to objects over relations, but only when the objects were far apart. Features alone were not strong enough to drive object matching—suggesting that bumblebees bound colour and shape into their object representations. These findings question whether the ability to focus on and compare objects is what makes human abstract reasoning unique.
Hit Identification from Ganoderma Lucidum to Treat Polycystic Ovarian Syndrome: An In-Silico Approach
Authors: Devi Manisha , Jayaraman Anbu , Pavadai Parasuraman , Selvaraj K , Damodar Nayak A
Published: December 2023

Polycystic ovarian syndrome (PCOS) is characterized by gynecological, endocrine and metabolic abnormalities in women at reproductive ages. Symptoms include hypergonadotropism, amenorrhea, oligomenorrhea, multiple cysts in ovaries, hirsutism, obesity, and commonly associated with infertility. However, the present treatments are not promising for complete elimination of PCOS. Natural sources have been the highly valued source of medicine and help improving and managing PCOS condition. Ganoderma lucidum is an oriental fungus, possessing a wide range of medicinal properties and pharmacological effects. Hence, the present study through computational approach aims at determining the possible mechanism of action by GAs in the treatment of PCOS. Molecular docking studies for 22 GAs with androgen receptor, AMPK, estrogen receptor α and β, insulin receptor, mitogen activated protein kinase (MAPK1), insulin like growth factor, and follicle stimulating hormone receptor were carried out using AutoDock Vina. Stability of the best docking scores protein ligand complexes were analyzed using DESMOND. Ganoderma triterpenes exhibited maximum binding affinity with MAPK1 ranging from −7.9 to −10.2 Kcal mol-1. The binding affinities of metformin and clomiphene with the targets were -4.6 and −6.6 Kcal mol-1 respectively which was recognized to be less compared to all GAs. Molecular dynamic simulation results were favorable towards GAs and reflected that MAPK can be a target for the management of PCOS using GAs. The stability of GAs at target binding pockets was found to be stable. Ganoderma triterpenes exhibited better activity compared to standards. Hence, GAs can be evaluated for the successful treatment of PCOS.
A High-Performance Liquid Chromatographic Method for Dissolution Testing of Lurasidone Tablets
Authors: Jain Paras , Prasad Ketha N V D , Nalluri Buchi N.
Published: December 2023

A simple, rapid, selective, and reproducible HPLC method for Lurasidone Hydrochloride tablet release estimation has been developed and validated. An Agilent, X-Bridge column C18,150*4.6 mm, 3.5m was used to produce a symmetrical peak form at a regulated column temperature of 25°C with a flow rate of 1.5 mL/min, a mobile phase component of A and B in the ratio of 30:70, a run time of 14 minutes, and an isocratic elution. Mobile phase A is 0.2% ammonia in water with a pH of 8.5, and mobile phase B is 98:2 acetonitrile and water. At 232 nm, 25 μL sample solutions were injected. A two-stage acid-buffer dissolution condition simulated GI transit pH shift was used. The acid stage consisted of 500 mL of 0.1N HCl solution in each vessel USP apparatus-2 at 75 rpm for 60 minutes, followed by 500 mL of concentrated buffer media in each vessel and continued dissolution with the same parameters. Dissolution method suitability, specificity, precision, accuracy, linearity, robustness, and solution stability have been verified. From the validation data, a set of system appropriateness requirements for the approach have been created. The minimum level at which the technique was found to be sensitive to LH was1.2 µg/mL, 1.2 µg/mL to 18.0 µg/mL was the range for the method’s development, which was based on accuracy and linearity tests. The solutions passed a 24-hour stability test while being stored at room temperature.
Development of RP-HPLC-PDA Method Validation for the Simultaneous Estimation of Zidovudine, Lamivudine, and Nevirapine in Bulk and Dosage Forms and in Dissolution Samples
Authors: Kalyani Potu. , Nalluri Buchi N. , Eswaraiah M. Chinna , Kumari Tata Prasanna
Published: December 2023

The purpose of this research is to design a rapid, efficient, and cost-effective RP-HPLC-PDA for the simultaneous determination of Nevirapine (NVP), Lamivudine (LMV), and Zidovudine (ZDV) in bulk, dosage forms, and dissolving samples. The maintained chromatographic conditions were an Inertsil ODS3 column (150×4.6mm,5µm) with 15mM Ammonium acetate: Methanol (55:45 v/v) as a mobile phase, injected in isocratic mode at flow-rate 1mL/min, eluents were measured at 270nm. LMV, ZDV, and NVP were eluted at 2.24, 3.88, and 8.15 minutes, respectively, under these LC conditions. At concentrations ranging from 5 to 25µg/mL, LMV (R2 = 0.999), ZDV (R2 = 0.997), and NVP (R2 = 0.996) exhibited excellent linearity. The LOD and LOQ for LMV were 0.296µg/mL and 0.899μg/mL, respectively, for ZDV were 0.105μg/mL, 0.320μg/mL and NVP were 0.113μg/mL, 0.343μg/mL respectively. In every instance, the validation acceptance criteria for variables such as accuracy, precision, assay, linearity, specificity, and robustness were met. The validated approach was utilized well for estimation of LMV, ZDV, and NVP in bulk, dosage forms, and dissolution samples.
Formulation and Evaluation of Desonide Loaded Niosomes Prepared by Film Hydration Technique Using Box-Behnken Design
Authors: Matlapudi Megha Shyam , Areti Anka Rao
Published: December 2023

The use of topical calcineurin inhibitors is a treatment method for the chronic illness psoriasis. Topical medication administration is extremely difficult, nevertheless, because to the physicochemical makeup of psoriatic stratum corneum. The present study aims to explore the potential of niosomes to improve the topical delivery of Desonide (penetration and deposition) for effective treatment of psoriasis. The niosomes were prepared by film hydration method using Cholesterol, Span 80 and Carbopol 940 (gelling agent). A Box-Behnken (BB) design, using Design-Expert® software, was employed to statistically optimize formulation variables. Three independent variables were evaluated: Span 80 (X1), Cholesterol (X2) and Sonication Time (X3). The Vesicle size (Y1: PS nm) and Entrapment Efficiency (Y2: EE %) were selected as dependent variables. The Vesicle size were obtained in a range between 114 nm to 216 nm, EE% was found in a range between 72% to 88%, PDI value is found between 0.31 to 0.45. From the optimization result it was proved that the vesicle size was increased with decreased concentration of span 80. Sonication Time has an inverse relationship with vesicle size. In vitro permeation testing was performed, and it was observed that the skin permeation and retention was better with Desonide loaded Niosomal gel compared to the conventional gel dosage form of Desonide.
In Vivo Skin Irritation Potential of a Topical Gel Loaded with Tea Tree Oil Nanosponges
Authors: Rana Amrita , Abraham Sindhu , Furtado Sharon , Megha K , Anbu J
Published: December 2023

Tea tree oil is the most sought-after natural oil because of its diverse pharmacological actions. It is widely used as a superficial antiseptic because of its broad-spectrum antimicrobial action. However, the oil is volatile and direct application on the skin can cause severe erythema. The present work aims to overcome this issue by developing topical gels loaded with tea tree oil nanosponges. Tea tree oil was encapsulated into nanosponges by emulsion solvent evaporation using varying concentrations of polyvinyl alcohol and ethyl cellulose. The nanosponges formed were subsequently characterized for its size and drug entrapment and then loaded into carbopol 934 gels for convenient administration. The viscosity, pH, spreadability, extrudability, ex vivo permeation, skin irritation potential and antimicrobial activity of the gels were tested. The nanosponge formulations exhibited particle size in the range 307.8 -394.4 nm with an oil entrapment efficiency ranging from 62.40% - 89.50%. Scanning Electron Microscopy of nanosponges demonstrated the presence of nano sized pleomorphic particles with spongy surface. pH of the gels ranged between 6.37±0.11 to 6.45±0.21 and spreadability between 3.60±0.15 to 4.28±0.11 g.cm/sec. The gels extruded easily and uniformly from the collapsible tubes. The antimicrobial activity and in vivo skin-irritation studies confirmed the non-irritant nature of the gel along with its antifungal and antibacterial activity. The study demonstrated that showed that the encapsulation of tea tree oil within nanosponges helped in the prevention of side effects associated with the use of pure tea tree oil.
Preparation & Evaluation of Acetylated Jack Fruit Seed Starch as a Carrier for Controlled Release Drug Delivery of Zidovudine Tablets
Authors: Shailaja P. , Sridevi N. , Kumar CH. Dinesh
Published: December 2023

In the present investigation, an attempt was made to isolate starch from jackfruit seed and acetylation of starch and utilize it as a rate control polymer to design controlled release of the zidovudine. Starch was isolated from jackfruit seeds through alkali extraction processes and evaluated for its physicochemical properties and phytochemical tests. Zidovudine was prepared using the controlled release tablets were prepared by using direct compression method. The jack fruit seed starch has shown good physical, phytochemical properties, and good flow properties. The prepared zidovudine tablet formulations were found to be stable according to the Indian Pharmacopoeia-specified limits for evaluation parameters like weight variation, hardness, friability, and in vitro drug release studies. From in vitro dissolution studies, it was observed that formulations F3 containing 6% w/w of alkali extracted starch showed control release of the drug for 24 h when compared to the other formulations. The drug release from the tablet was found to be zero order drug release with R2 value of and the drug release mechanism was found to be non fickian diffusion. The tablets prepared from jackfruit seed starch as rate controlling polymer were found to be suitable for preparation of controlled release tablet.
Preparation and Characterization of Montelukast Sodium Loaded Cubosomal Vesicles for Oral Delivery Using Central Composite Design
Authors: Shailaja P. , Pavani K. , Swathi K.
Published: December 2023

The present study aims to find the potential of glyceryl monoolein cubosomes as lipid nanocarriers to enhance the efficiency of oral delivery of montelukast sodium. Increasing the solubility of the drug, as cubosomes have great potential to incorporate poorly water-soluble drugs in the lipid bilayer part of their structure in solubilized form thereby enhancing its bioavailability. Controlling the release rate of drug, as cubosomes are more suitable for controlled release of drug due to their small pore size of 5-10nm and the interaction of hydrophobic environment of the cubic structure present in cubosomes with the drug. The size of cubosomal particles generally is in the range of 10-500nm, this along with the lipophilic nature of the vesicular systems aids in the lymphatic absorption thus surpassing the first pass metabolism and increasing the oral bioavailability. Montelukast sodium loaded cubosomes are formulated using central composite design and characterized using % drug content, % transmittance, % entrapment efficiency, in vitro and ex vivo evaluation.
Optimization of Telmisartan Fast Dissolving Tablets by 32 Factorial Design
Authors: Sukanya M. , Devi V. Rupa Sree , Shankar K. Ravi , Reddy G. Ramana , Anusha R.
Published: December 2023

Telmisartan belongs to BCS Class II drug and needs enhancement in dissolution rate. The main objective of the study is to produce rapid dissolving tablets of telmisartan by complexation with β-cyclodextrin (βCD) and by using solid dispersions of MCC, Starch 1500, PEG 4000, Primojel and Mannitol. Telmisartan tablets with fast dissolution characteristics employing βCD were prepared using 32 factorial design and were prepared by direct compression method. Dissolution of Telmisartan from the βCD complexes was rapid and higher when compared to Telmisartan pure drug and with different carriers. Hence βCD(1:3M) ratio was chosen for formulation of tablets by 32 factorial study. Tablets each carrying 20mg of telmisartan were prepared employing βCD(1:3M) using Sodium starch glycolate and Crospovidone as super disintegrants by direct compression method. The tablet powder blends in each case possess excellent flow characteristics suitable for direct compression. All tablets prepared met I.P disintegration time specification of uncoated tablets. Factorial design was used in formulation of tablets. The 3 levels of factor X1 (Crospovidone) are at the concentration of 3%, 4%, 5%,3 levels of factor X2 (Primojel) are at the concentration of 3%, 4%, 5%. (% with respect to the avg weight of the tablet, i.e. 250mg) were taken as the rationale for the design of telmisartan fast dissolving tablet preparation. The conclusion can be drawn that increasing the superdisintegrant amount causes the dosage form’s disintegration time to decrease, and the drug release pattern can be altered by choosing right levels of superdisintegrant.
Solubility Enchancement and In-Vitro Dissolution Studies of Glipizide Using Recrystallization Technique
Authors: Jyothsna K. , Kumar K Anil , Rao TP
Published: December 2023

The enhancement of oral bioavailability of poorly water soluble drugs remains one of the most challenging aspects of drug development. Together with the permeability, the solubility behavior of the drug is key determinant of its oral bioavailability. Glipizide is used in the treatment of diabetics. The given study focuses enhancement of solubility and dissolution rate of Glipizide by recrystallization technique. Solubility of drug increases by using recrystallization technique. To identify the dissolution rate UV-VISIBLE spectrophotometer was used, to identify the changes in crystal morphology, structural change, and melting point SEM, FTIR, DSC was used to identify the recrystallized products. Study identified that compounds having good dissolution rate shows high absorption. Seven solvents are used in the recrystallization process. Total three solvents shows good results compared to marketed tablet. Finally, by using three solvents formulated tablets was prepared and identified i.e., marketed tablet, G1, G2, G3, G4, for further in vitro testing.
Integrating QQ with Nano-techniques – A Potent Antibacterial Therapy
Authors: Munagala Shivani , Dunna Manikantha , Tulasi C. D. S. L. N. , Sowmya Bansuwada , Archana Bussa , Ponnuru Venkata Suresh , Chepuri Kalyani
Published: December 2023

Biofilms are highly organized 3D structures where bacteria are embedded in a self-produced complex matrix, made of extracellular polymeric substances (EPS). Biofilms are produced via the quorum sensing (QS) pathway. QS is mediated by bacteria producing, releasing and detecting extracellular signaling molecules called autoinducers (AIs). If AIs are produced more, then the biofilm’s cell density will be greater, these biofilms are responsible for microbial activity. As of now there are at least three known mechanisms for QS pathways. Those include (1) luminescence inducer/regulator (LuxI/LuxR)-type quorum sensing with acyl-homoserine lactones (AHL) as signal molecules (in Gram-negative bacteria); (2) oligopeptide two-component-type quorum sensing with short peptides as signal molecules (in Gram-positive bacteria); and (3) AI-2 quorum sensing: expressed via the luxS gene (in both types of bacteria). To produce antimicrobial activity, the QS mechanism needs to be suppressed. Quorum quenching (QQ), works against QS, which, in turn, helps in antimicrobial activity. In some cases, AHL is modified to disrupt QS mechanisms. For example, Agrobacterium and Pseudomonas, can cleave their own AHL signals. Recent research in nanotechnology has resulted in the development of nanoparticle drugs, which showed the anti-QS mechanisms. On the basis of their unique properties, nanoparticles act as anti-infective agents, so they are used in drug development. Nanoparticles (NPs) do not destroy cell wall to kill the microbes but they act at cellular level, that is the biochemical and molecular level, and destroy the membranes. Some of the nanoparticles used in drug development are silver NPs, gold NPs, ZnO NPs, SiO2 NPs and TiO2 NPs. Nanoparticles help in eliminating the QS, which leads to a low density biofilm (through a decrease in bacterial growth) which helps to treat and prevent bacterial infection.
Hydrodeoxygenation and hydrodenitrogenation of n-hexadecanamide over Pt catalysts: effect of the support
Authors: Verkama Emma , Albersberger Sylvia , Arandia Aitor , Meinander Kristoffer , Tiitta Marja , Karinen Reetta , Puurunen Riikka L.
Published: December 2023

The Lewis acid properties of the support influence the activity and selectivity of supported Pt catalysts in the hydrodeoxygenation and hydrodenitrogenation of n-hexadecanamide to n-paraffins.
Design of luminescent complexes with different Cu4I4 cores based on pyridyl phenoxarsines
Authors: Galimova Milyausha F. , Zueva Ekaterina M. , Petrova Maria M. , Dobrynin Alexey B. , Kolesnikov Ilya E. , Musina Elvira I. , Musin Rustem R. , Karasik Andrey A. , Sinyashin Oleg G.
Published: December 2023

The luminescence properties of a synthesized series of  Cu4I4 clusters with a stair-step, cubane, and octahedral geometries supported by novel As,N-ligands, were reported and rationalized.
Complexation of drug amifampridine with Cu(ii), Zn(ii) and Cd(ii) ions, and its dimerization with the magic of Mn(ii) salts. Potential anti-COVID-19 and anticancer activities
Authors: Hajibabaei Farshid , Movafagh Samaneh Sanei , Salehzadeh Sadegh , Gable Robert William
Published: December 2023

Dimerization via C–H activation with Mn(ii) ions, Complexation with Cu(ii), Zn(ii) and Cd(ii) ions.
Preparation of a microbial char adsorbent from polyethyleneimine-modified and nickel-loaded microorganisms for efficient removal of metronidazole
Authors: Hu Tao , Liu Junwu , Fang Yingchun , Feng Ningning , Wang Guozhen , Tong Jiaxin , Lu Kuan , Yang Quan , Ma Wangrui , Wu Haiyan , Xie Jianping
Published: December 2023

Biochar has become a frontier of research in recent years and has broad potential for application in antibiotic adsorption.
Dietary intervention with edible film-coated multistrain probiotic Lacticaseibacilli in nondairy food matrices significantly increased the recovery of fecal viable Lacticaseibacilli and improved the performance of several colonic biomarkers among slightly malnourished preschool children
Authors: Gad Mosab , Elbahnasawy Amr S. , Ramadan Asmaa A. , Yamamah Gamal Abdel Naser , Hussein Laila
Published: December 2023

Probiotic enriched dairy products are widely consumed in Western countries for their beneficial effects on the gastrointestinal tract and overall health.
Organocatalytic enantioselective Mannich and retro-Mannich reactions and combinations of these reactions to afford tetrasubstituted α-amino acid derivatives
Authors: Chen Kuan-Lin , Tanaka Fujie
Published: December 2023

Catalytic asymmetric Mannich reactions and kinetic resolutions via retro-Mannich reactions were developed. The combination of these reactions afforded tetrasubstituted α-amino acid derivatives with er >99 : 1.
Facile and practical access to chiral benzofused oxa-heterocycles via an asymmetric hydrogenation and intramolecular SNAr cascade
Authors: Wang Fangyuan , Wu Ting , Lu Bin , Yu Jianchao , Xiao Renwei , Yi Boxuan , Zhang Xumu , Chen Gen-Qiang
Published: December 2023

Herein, we report a tandem asymmetric hydrogenation and SNAr reaction, providing valuable six- and five-membered chiral benzofused cyclic ethers with high yields and enantioselectivities (up to 99% yield and up to 99% ee).
Green synthesis of zinc nanoparticles with plant material and their potential application in bulk industrial production of mosquito-repellent antibacterial paint formulations
Authors: Majeed Hammad , Iftikhar Tehreema , Abid Rida
Published: December 2023

Synthesis of plant-based zinc oxide nanoparticles, and the application of these materials in the synthesis of antibacterial and mosquito-repellent paint formulations.
Clickable bisreactive small gold nanoclusters for preparing multifunctionalized nanomaterials: application to photouncaging of an anticancer molecule
Authors: Watanabe Kenji , Mao Qiyue , Zhang Zhouen , Hata Machi , Kodera Masahito , Kitagishi Hiroaki , Niwa Takashi , Hosoya Takamitsu
Published: December 2023

2 nm sized gold nanoclusters with azido and amino groups were synthesized. The gold nanoclusters were conjugated with a caged anticancer compound and a photosensitizer for photouncaging, resulting in photoinduced toxicity in cancer cells.
Interparticle interaction-dependent jamming in colloids: insights into glass transition and morphology modulation during rapid evaporation-induced assembly
Authors: Mehta Swati , Bahadur Jitendra , Sharma Sandeep K. , Sen Debasis
Published: December 2023

Understanding the role of interparticle interactions in jamming phenomena is essential for gaining insights into the intriguing glass transition behavior observed in atomic and molecular systems.
Correction: A biomass-derived dual crosslinked DNA-nanoparticle hydrogel for visible light-induced photodynamic bacterial inactivation
Authors: Das Gourab , Nayak Suman , Kotness Dinesh Kumar , Das Prolay
Published: December 2023

Correction for ‘A biomass-derived dual crosslinked DNA-nanoparticle hydrogel for visible light-induced photodynamic bacterial inactivation’ by Gourab Das et al., Soft Matter, 2023, https://doi.org/10.1039/D3SM01400B.
Does the magnetothermal instability survive whistler suppression of thermal conductivity in galaxy clusters?
Authors: Perrone Lorenzo Maria , Berlok Thomas , Pfrommer Christoph
Published: December 2023

The hot and dilute intracluster medium (ICM) plays a central role in many key processes that shape galaxy clusters. Nevertheless, the nature of plasma turbulence and particle transport in the ICM remain poorly understood, and quantifying the effect of kinetic plasma instabilities on the macroscopic dynamics represents an outstanding problem. Here we focus on the impact of whistler-wave suppression of the heat flux on the magnetothermal instability (MTI), which is expected to drive significant turbulent motions in the periphery of galaxy clusters. We perform small-scale Boussinesq simulations with a sub-grid closure for the thermal diffusivity in the regime of whistler-wave suppression. Our model is characterized by a single parameter that quantifies the collisionality of the ICM on the astrophysical scales of interest that we tune to explore a range appropriate for the periphery of galaxy clusters. We find that the MTI is qualitatively unchanged for weak whistler suppression. Conversely, with strong suppression the magnetic dynamo is interrupted and MTI turbulence dies out. In the astrophysically relevant limit, however, the MTI is likely to be supplemented by additional sources of turbulence. Investigating this scenario, we show that the inclusion of external forcing has a beneficial impact and revives even MTI simulations with strong whistler suppression. As a result, the plasma remains buoyantly unstable, with important consequences for turbulent mixing in the ICM.