Miracle-dz/UniFAR-FTUs huggingface dataset:
In silico design of novel bioactive molecules to treat breast cancer with chlorogenic acid derivatives: a computational and SAR approach

Introduction: Cancer is a vast group of diseases comprising abnormal cells that multiply and grow uncontrollably, and it is one of the top causes of death globally. Several types of cancers are diagnosed, but the incidence of breast cancer, especially in postmenopausal women, is increasing daily. Chemotherapeutic agents used to treat cancer are generally associated with severe side effects on host cells, which has led to a search for safe and potential alternatives. Therefore, the present research has been conducted to find novel bioactive molecules to treat breast cancer with chlorogenic acid and its derivatives. Chlorogenic acid was selected because of its known activity in the field. Methods: Several chlorogenic acid derivatives were subjected to computational studies such as molecular docking, determination of absorption, distribution, metabolism, and excretion (ADME), druglikeness, toxicity, and prediction of activity spectra for substances (PASS) to develop a potential inhibitor of breast cancer. The Protein Data Bank (PDB) IDs used for docking purposes were 7KCD, 3ERT, 6CHZ, 3HB5, and 1U72. Result: Exhaustive analysis of results has been conducted by considering various parameters, like docking score, binding energy, types of interaction with important amino acid residues in the binding pocket, ADME, and toxicity data of compounds. Among all the selected derivatives, CgE18, CgE11, CgAm13, CgE16, and CgE9 have astonishing interactions, excellent binding energy, and better stability in the active site of targeted proteins. The docking scores of compound CgE18 were −11.63 kcal/mol, −14.15 kcal/mol, and −12.90 kcal/mol against breast cancer PDB IDs 7KCD, 3HB5, and 1U72, respectively. The docking scores of compound CgE11 were −10.77 kcal/mol and −9.11 kcal/mol against breast cancer PDB IDs 3ERT and 6CHZ, respectively, whereas the docking scores of epirubicin hydrochloride were −3.85 kcal/mol, −6.4 kcal/mol, −8.76 kcal/mol, and −10.5 kcal/mol against PDB IDs 7KCD, 3ERT, 6CHZ, and 3HB5. The docking scores of 5-fluorouracil were found to be −5.25 kcal/mol, −3.43 kcal/mol, −3.73 kcal/mol, and −5.29 kcal/mol against PDB IDs 7KCD, 3ERT, 6CHZ, and 3HB5, which indicates the designed compounds have a better docking score than some standard drugs. Conclusion: Taking into account the results of molecular docking, drug likeness analysis, absorption, distribution, metabolism, excretion, and toxicity (ADMET) evaluation, and PASS, it can be concluded that chlorogenic acid derivatives hold promise as potent inhibitors for the treatment of breast cancer.
Landmark Topology Descriptor-Based Place Recognition and Localization under Large View-Point Changes

Accurate localization between cameras is a prerequisite for a vision-based heterogeneous robot systems task. The core issue is how to accurately perform place recognition from different view-points. Traditional appearance-based methods have a high probability of failure in place recognition and localization under large view-point changes. In recent years, semantic graph matching-based place recognition methods have been proposed to solve the above problem. However, these methods rely on high-precision semantic segmentation results and have a high time complexity in node extraction or graph matching. In addition, methods only utilize the semantic labels of the landmarks themselves to construct graphs and descriptors, making such approaches fail in some challenging scenarios (e.g., scene repetition). In this paper, we propose a graph-matching method based on a novel landmark topology descriptor, which is robust to view-point changes. According to the experiment on real-world data, our algorithm can run in real-time and is approximately four times and three times faster than state-of-the-art algorithms in the graph extraction and matching phases, respectively. In terms of place recognition performance, our algorithm achieves the best place recognition precision at a recall of 0–70% compared with classic appearance-based algorithms and an advanced graph-based algorithm in the scene of significant view-point changes. In terms of positioning accuracy, compared to the traditional appearance-based DBoW2 and NetVLAD algorithms, our method outperforms by 95%, on average, in terms of the mean translation error and 95% in terms of the mean RMSE. Compared to the state-of-the-art SHM algorithm, our method outperforms by 30%, on average, in terms of the mean translation error and 29% in terms of the mean RMSE. In addition, our method outperforms the current state-of-the-art algorithm, even in challenging scenarios where the benchmark algorithms fail.
Sustainable use of communal forests in Nepal

Les lecons apprises a la suite des tentatives recentes de mise en oeuvre d'une politique forestiere au niveau des communautes villageoises du Nepal se trouvent examinees du point de vue de l'utilisation viable des ressources forestieres et de l'evolution de l'importance donnee a la foresterie en tant que composante du developpement rural. La lecon cle est que la mise en oeuvre d'une politique doit etre un processus dynamique base sur la participation et l'acceptation de ceux qui seront touches par toute decision prise dans le cadre de cette politique. La simple formulation de directives et de lignes directrices bien intentionnees au niveau du gouvernement central ne signifie pas qu'il y aura automatiquement une bonne gestion des ressources forestieres au niveau du village. Les lignes directrices d'une politique doivent s'accompagner de strategies et de programmes d'action sur le terrain, et d'importants efforts murement reflechis visant a reformer et a renforcer les institutions gouvernementales et communautaires jouant un role critique dans la mise en oeuvre de la politique.
Effect of Trigonella foenum-graecum Against Antidiabetic Activity in Male Albino Wistar Rats

: The present study investigated the antidiabetic effect of ethanolic extracts of fenugreek seeds Trigonella foenum-graecum (TFG) in streptozotocin (STZ) induced diabetic rats. Diabetes mellitus (DM) was induced in male albino rats of the Wistar strain weighing 200 – 250 g. The rats were divided into 4 groups. Group 1 served as control. Group 2, 3 and 4 rats were induced with diabetes by administering 60 mg/kg body weight (b wt) of STZ. The antidiabetic activity of TFG was evaluated by administering 500 mg/kg b wt. of extract of TFG in group 3 rats along with 50 mg/kg b wt. of STZ for 0, 7, 14, 21 and 28 days, respectively. Furthermore, group 4 rats received 50 g/kg b wt. of metformin (MET) along with STZ. STZ treatment showed significant changes in the body weight of animals during days 0, 7, 14, 21, and 28. Blood glucose levels on day 0 showed no significant intragroup variation. Administration of 60 mg/kg b wt. of STZ showed a significant increase in fasting blood glucose levels. After 28 days, group 2 rats exhibited significantly higher blood glucose levels as compared to control and TFG treated rats. Moreover, group 4 rats administered with metformin showed a significant decrease in blood glucose levels when compared with the normal control and TFG treated groups at intervals of days 7, 14, 21, and 28. The current study revealed the antidiabetic potential of TFG being effective in hyperglycemia and can protect against other metabolic aberrations caused by DM.
Surface Water Quality in Urban Areas in Southern Most Province of Vietnam

This study aims to assess the influence of socioeconomic activities on surface water quality in the Ca Mau province. Water quality data were collected at 14 locations in 2021. Water quality index (VN_WQI), hierarchical cluster analysis (HCA), Pearson correlation and principal component analysis (PCA) were applied in the study. The results showed that the surface water quality was contaminated organic matters (TSS, BOD, COD) and coliform. Water quality was assessed from poor to medium levels by VN_WQI and the water quality is unsuitable for direct irrigation purposes. The results also showed that water quality at Ganh Hao river fork (S2) was the most polluted. HCA classified water quality into three groups based on the similarity of water quality parameters. Pearson correlation results indicated organic pollution, nutrients and microorganisms were mutually related. PCA explained 83.60% of the total variance with three PCs. Ten parameters were identified as the key water parameters influencing surface water quality and these parameters should be continuously monitored. The water pollution sources were possibly urban and market activities, production facilities discharge and salinity intrusion.
Présence de woodruffite, (Zn, Mn+2)Mn3+4O7.1−2H2O, d'hetaerolite, ZnMn2O4, et d'hydrohetaerolite, HZnMn2−xO4, dans un skarn du Mont Chemin (Valais, Suisse)

De la woodruffite, (Zn, Mn +2 )Mn 3 +4 O 7 . 1-2 H 2 O, de l'hetaerolite, ZnMn 2 O 4 , et de l'hydrohetaerolite. HZnMn 2−x O 4 , ont ete observees dans une veine alpine a quartz-calcite recoupant un skarn a magnetite et sulfures de la mine de Chez Larze, Mont Chemin (Valais, Suisse). La woodruffite apparait en agregats botryoidaux millimetriques a centimetriques qui sont constitues par des cristaux fibro-lamellaires. L'hetaerolite, plus rare, forme des groupements et des chapelets de cristaux granulaires bordant les concretions de woodruffite. L'hydrohetaerolite, optiquement tres similaire a la woodruffite, apparait comme etant un produit d'alteration de l'hetaerolite. Ces mineraux sont d'origine supergene
Biodegradation of Cholesterol by Enterococcus faecium YY01

Cholesterol (CHOL) is one of the risk factors causing the blockage of the arterial wall, atherosclerosis, coronary heart disease, and other serious cardiovascular diseases. Here, a promising bacterial strain for biodegrading CHOL was successfully isolated from the gut of healthy individuals and identified as Enterococcus faecium YY01 with an analysis of the 16S rDNA sequence. An initial CHOL of 1.0 g/L was reduced to 0.5 g/L in 5 days, and glucose and beef extract were found to be optimal carbon and nitrogen sources for the rapid growth of YY01, respectively. To gain further insight into the mechanisms underlying CHOL biodegradation, the draft genome of YY01 was sequenced using Illumina HiSeq. Choloylglycine hydrolase, acyltransferase, and alkyl sulfatase was encoded by gene0586, gene1890, and gene2442, which play crucial roles in converting 3α, 7α, 12α-trihydroxy-5β-choranic acid to choline-CoA and then choline-CoA to bile acid. Notably, choloylglycine hydrolase was closely related to the biosynthesis of both primary and secondary bile acid. The findings of this study provide valuable insights into the metabolism pathway of CHOL biodegradation by YY01 and offer a potential avenue for the development of bacterioactive drugs against hypercholesterolemia.
Negative Capacitance Dual-Gated ISFETs as Ultra-Sensitive pH Sensors

Ion-sensitive field-effect transistors (ISFETs) are promising candidates for next-generation pH sensors, enabling highly sensitive and label-free biomolecular and chemical detection. Emerging FETs based on the negative capacitance (NC) effect offer steep-subthreshold switching and higher drive current simply by integrating a ferroelectric (FE) material into the gate stack. Here, we propose a novel NC dual-gated ISFET (NC-DG-ISFET)-based pH sensor, with FE layers integrated into both the top and the bottom gate stacks. The current and voltage sensitivities of the proposed device are extracted from its transfer characteristics, obtained by combining the numerical solutions of the one-dimensional (1D) Landau-Khalatnikov (L-K) equation with three-dimensional (3D) technology computer-aided design (TCAD) simulations. Results show that the NC-DG-ISFET can surpass the sensitivity of some of the state-of-the-art DG-ISFET pH sensors. The inclusion of the FE layers into the gate stacks of a baseline DG-ISFET leads to 51% reduction in subthreshold swing (SS), causing a 5× increase in current sensitivity (SI) in the subthreshold region of operation and a 2× increase in voltage sensitivity (SV). The influence of channel thickness and channel length on the sensor performance is also invesitgated. The findings presented here provide a new pathway to leverage the steep-switching behavior of NCFETs for the next generation of highly sensitive and label-free DG-ISFET pH sensors.
Petrography and geochemistry of the Vallorcine granite (Aiguilles Rouges massif, Western Alps)

The pre-Mesozoic basement of the Aiguilles Rouges massif (Western Alps) was intruded, during Late Variscan time, by the Vallorcine granite, and its emplacement was accompanied by strike slip tectonics. In the main granite body, about 15 km long, a lower, more coarse grained porphyritic granite can be differentiated from the main, less coarse grained porphyritic granite of the upper levels. Major and trace elements indicate a differentiation sequence from early leucogranites to the porphyritic granites (lower and upper facies), followed by granite porphyries and rhyolites. The main facies corresponds to an S-type granite, confirmed by stable isotopes, zircon morphology and the presence of the Al-rich phases like muscovite, cordierite, andalusite, and sillimanite
Integration of direct microfiltration and reverse osmosis process for resource recovery from municipal wastewater

For the sustainability of water resources, the recovery of water, organic matter (OM), energy, and nutrients from municipal wastewater become very attractive resources. As direct application of water, nutrient, and energy recovery from municipal wastewater cannot be feasible, the wastewa - ter needed to be concentrated. In this study, the molecular weight distribution of OM content was determined in wastewater samples, up-concentration potential of direct microfiltration (DMF) of municipal wastewater and water recovery were investigated. In OM fractionation studies, around 52% of the chemical oxygen demand (COD) in wastewater was particulate or colloidal (>10 kDa) and 48% was soluble (<300 Da). In DMF tests, the COD concentration was concentrated up to 1,573 mg/L after sequential DMF experiments. Additionally, the theoretic total energy requirement of the DMF process was found around 0.3 kWh/m 3 and it would be potentially energy positive. In crossflow experiments, the reverse osmosis (RO) process was performed using DMF effluent. When microfiltration and RO membranes were chemically cleaned, flux recovery rates of 100% and 99% were achieved, respectively. However, the foulants could not be completely removed during the cleaning according to scanning electron microscopy, atomic force microscopy, and attenuated total reflection-Fourier-transform infrared spectroscopy results of the virgin, fouled, and cleaned mem - branes. This study reveals that the DMF+RO process is a promising technology for the recovery of OM and water from municipal wastewater.
Light-induced shift current vortex crystals in moiré heterobilayers

Significance Employing light to drive different phenomena or to induce and tune exotic phases of matter lies at the heart of modern condensed matter science and technologies such as optoelectronics. Shift current, a second-order optical response in noncentrosymmetric materials, is a notable DC photocurrent (generated without a p-n junction) having prominent features like low dissipation and robustness against scattering. We investigate shift current generation and their microscopic real-space density distributions in WSe2/WS2 moiré heterobilayers. We identify an moiré quantum matter—light-induced shift current vortex crystals with associated magnetism—as well as an all-optical control route for its manipulation. These findings offer insight into the photophysics of van der Waals moiré systems and open rich opportunities for their applications.
Neuroprotective Effects and Therapeutic Potential of Dichloroacetate: Targeting Metabolic Disorders in Nervous System Diseases

Abstract Dichloroacetate (DCA) is an investigational drug used to treat lactic acidosis and malignant tumours. It works by inhibiting pyruvate dehydrogenase kinase and increasing the rate of glucose oxidation. Some studies have documented the neuroprotective benefits of DCA. By reviewing these studies, this paper shows that DCA has multiple pharmacological activities, including regulating metabolism, ameliorating oxidative stress, attenuating neuroinflammation, inhibiting apoptosis, decreasing autophagy, protecting the blood‒brain barrier, improving the function of endothelial progenitor cells, improving mitochondrial dynamics, and decreasing amyloid β-protein. In addition, DCA inhibits the enzyme that metabolizes it, which leads to peripheral neurotoxicity due to drug accumulation that may be solved by individualized drug delivery and nanovesicle delivery. In summary, in this review, we analyse the mechanisms of neuroprotection by DCA in different diseases and discuss the causes of and solutions to its adverse effects.
Aid Under Fire: Development Projects and Civil Conflict∗

We estimate the causal effect of a large development program on conflict in the Philippines through a regression discontinuity design that exploits an arbitrary poverty threshold used to assign eligibility for the program. We find that barely eligible municipalities experienced a large increase in conflict casualties compared to barely ineligible ones. This increase is caused by insurgent-initiated incidents during the early stages of program-preparation. Our results are consistent with two mechanisms: that insurgents attempt to appropriate the program’s resources by violent means or that they try to sabotage the program because its success would weaken their support in the population. ∗The authors would like to thank Eli Berman, Michael Callen, Alexander B. Downes, Alain de Janvry, Jim Fearon, Julien Labonne, David D. Laitin, Ethan Ligon, Jeremy Magruder, Ted Miguel, Andrew Parker, Bob Powell, Elisabeth Sadoulet, Jacob N. Shapiro, Rob Wrobel, and participants of the NBER Summer Institute on the Economics of National Security for comments on earlier versions of the manuscript. Crost acknowledges financial support from the Institute of Business and Economic Research and the Center of Evaluation for Global Action at the University of California, Berkeley. Felter and Johnston acknowledge financial support from AFOSR Award #FA9550-09-1-0314. Any opinions, findings, conclusions, and recommendations expressed in this publication are the authors’ and do not necessarily reflect those of any other organization or entity.
Numerical study of how stable stratification affects turbulence instabilities above a forest cover: application to wind energy

Forest areas are of increasing interest for the wind energy industry. However, they induce complex flows with strong shear and high turbulence levels. Stably stratified atmospheric conditions, typical during nighttime and especially in winter, add to the challenge of accurately estimating wind resources. Such conditions typically imply strong wind shear and cause larger structural fatigue loads to wind turbines. In this work, large-eddy simulations are performed in neutral and stable conditions over a forest to analyze the influence of the combined effect of forest and thermal stabilities on the unsteady characteristics of the wind flow. Taking advantage of the unsteady resolution provided by the simulations, turbulent characteristics of each thermal stability including the organization of turbulent structures are presented. The resulting comparison between the two cases is put into perspective for wind energy applications.
Patient-Reported Outcomes (PROs) and Patient Experiences in Fertility Preservation: A Systematic Review of the Literature on Adolescents and Young Adults (AYAs) with Cancer

Simple Summary With better survival rates for patients diagnosed with cancer, more attention has been put on future risks like fertility decline due to gonadotoxic treatment. This review focusses on patient-reported outcomes (PROs) and patient experiences among adolescent and young adults (AYAs) diagnosed with cancer. An extended search showed that health care providers need to acknowledge the importance of future fertility and discuss with every AYA the potential of fertility decline. AYAs often requested a referral to a fertility specialist to be informed about fertility preservation (FP) options. They also commonly asked for more patient-specific (written) information about FP options. A clear FP pathway can prevent a delay in receiving a referral to a fertility specialist to discuss FP options and initiating FP treatment. This patient-centered approach will optimize FP experiences and establish a process to achieve long-term follow up after FP treatment. Abstract With better survival rates for patients diagnosed with cancer, more attention has been focused on future risks, like fertility decline due to gonadotoxic treatment. In this regard, the emphasis during counselling regarding possible preservation options is often on the treatment itself, meaning that the medical and emotional needs of patients regarding counselling, treatment, and future fertility are often overlooked. This review focuses on patient-reported outcomes (PROs) and patient experiences regarding fertility preservation (FP)—among adolescents and young adults (AYAs) with cancer. A systematic review of the literature, with a systematic search of online databases, was performed, resulting in 61 selected articles. A quality assessment was performed by a mixed methods appraisal tool (MMAT). Based on this search, three important topics emerged: initiating discussion about the risk of fertility decline, acknowledging the importance of future fertility, and recognizing the need for more verbal and written patient-specific information. In addition, patients value follow-up care and the opportunity to rediscuss FP and their concerns about future fertility and use of stored material. A clear FP healthcare pathway can prevent delays in receiving a referral to a fertility specialist to discuss FP options and initiating FP treatment. This patient-centered approach will optimize FP experiences and help to establish a process to achieve long-term follow up after FP treatment.
Genome-Wide Analysis of Sweet Potato Ammonium Transporter (AMT): Influence on Nitrogen Utilization, Storage Root Development and Yield

Ammonium, as a major inorganic source of nitrogen (N) for sweet potato N utilization and growth, is specifically transported by ammonium transporters (AMTs). However, the activities of AMT family members in sweet potatoes have not been analyzed. In the present study, the sweet potato cultivar ‘Pushu 32’, which is planted in a large area in China, was used in field experiments at the Agricultural Base of Hainan University (20°06′ N, 110°33′ E) in 2021, and Sanya Nanfan Research Institute of Hainan University (18°30′ N, 109°60′ E) in 2022. Four N levels were tested: 0, 60, 120, and 180 kg ha−1. The results are as follows. Twelve IbAMT genes were identified in the sweet potato genome, which were classified into three distinct subgroups based on phylogeny; the same subgroup genes had similar properties and structures. IbAMT1.3 and IbAMT1.5 were mostly expressed in the storage roots under N deficiency. Compared with the NN and HN groups, IbAMT1.3 and IbAMT1.5 expressions, N content in storage roots, N uptake efficiency at the canopy closure, N fertilization contribution rates, number of storage roots per plant, storage root weight, and yield were all increased in the MN group. Furthermore, there was a significant positive correlation between the expressions of IbAMT1.3 and IbAMT1.5 with N content in the storage roots of sweet potato. In a word, IbAMT1.3 and IbAMT1.5 may regulate N utilization, affect the development of the storage root. and determine the yield of sweet potato. The results provide valuable insights into the AMT gene family’s role in the use of N and effects on storage root development and yield in sweet potatoes.