Prediction of Inhibitory Activity of Epidermal Growth Factor Receptor Inhibitors Using Grid Search-Projection Pursuit Regression Method

The epidermal growth factor receptor (EGFR) protein tyrosine kinase (PTK) is an important protein target for anti-tumor drug discovery. To identify potential EGFR inhibitors, we conducted a quantitative structure–activity relationship (QSAR) study on the inhibitory activity of a series of quinazoline derivatives against EGFR tyrosine kinase. Two 2D-QSAR models were developed based on the best multi-linear regression (BMLR) and grid-search assisted projection pursuit regression (GS-PPR) methods. The results demonstrate that the inhibitory activity of quinazoline derivatives is strongly correlated with their polarizability, activation energy, mass distribution, connectivity, and branching information. Although the present investigation focused on EGFR, the approach provides a general avenue in the structure-based drug development of different protein receptor inhibitors

Bounded incentives in manipulating the probabilistic serial rule

The Probabilistic Serial mechanism is valued for its fairness and efficiency in addressing the random assignment problem. However, it lacks truthfulness, meaning it works well only when agents' stated preferences match their true ones. Significant utility gains from strategic actions may lead self-interested agents to manipulate the mechanism, undermining its practical adoption. To gauge the potential for manipulation, we explore an extreme scenario where a manipulator has complete knowledge of other agents' reports and unlimited computational resources to find their best strategy. We establish tight incentive ratio bounds of the mechanism. Furthermore, we complement these worst-case guarantees by conducting experiments to assess an agent's average utility gain through manipulation. The findings reveal that the incentive for manipulation is very small. These results offer insights into the mechanism's resilience against strategic manipulation, moving beyond the recognition of its lack of incentive compatibility

Cost Minimization for Equilibrium Transition

In this paper, we delve into the problem of using monetary incentives to encourage players to shift from an initial Nash equilibrium to a more favorable one within a game. Our main focus revolves around computing the minimum reward required to facilitate this equilibrium transition. The game involves a single row player who possesses $m$ strategies and $k$ column players, each endowed with $n$ strategies. Our findings reveal that determining whether the minimum reward is zero is NP-complete, and computing the minimum reward becomes APX-hard. Nonetheless, we bring some positive news, as this problem can be efficiently handled if either $k$ or $n$ is a fixed constant. Furthermore, we have devised an approximation algorithm with an additive error that runs in polynomial time. Lastly, we explore a specific case wherein the utility functions exhibit single-peaked characteristics, and we successfully demonstrate that the optimal reward can be computed in polynomial time.Comment: To appear in the proceeding of AAAI202

Association of intestinal alkaline phosphatase with necrotizing enterocolitis among premature infants

Importance: Necrotizing enterocolitis (NEC) in preterm infants is an often-fatal gastrointestinal tract emergency. A robust NEC biomarker that is not confounded by sepsis could improve bedside management, lead to lower morbidity and mortality, and permit patient selection in randomized clinical trials of possible therapeutic approaches. Objective: To evaluate whether aberrant intestinal alkaline phosphatase (IAP) biochemistry in infant stool is a molecular biomarker for NEC and not associated with sepsis. Design, Setting, and Participants: This multicenter diagnostic study enrolled 136 premature infants (gestational age, \u3c37 weeks) in 2 hospitals in Louisiana and 1 hospital in Missouri. Data were collected and analyzed from May 2015 to November 2018. Exposures: Infant stool samples were collected between 24 and 40 or more weeks postconceptual age. Enrolled infants underwent abdominal radiography at physician and hospital site discretion. Main Outcomes and Measures: Enzyme activity and relative abundance of IAP were measured using fluorometric detection and immunoassays, respectively. After measurements were performed, biochemical data were evaluated against clinical entries from infants\u27 hospital stay. Results: Of 136 infants, 68 (50.0%) were male infants, median (interquartile range [IQR]) birth weight was 1050 (790-1350) g, and median (IQR) gestational age was 28.4 (26.0-30.9) weeks. A total of 25 infants (18.4%) were diagnosed with severe NEC, 19 (14.0%) were suspected of having NEC, and 92 (66.9%) did not have NEC; 26 patients (19.1%) were diagnosed with late-onset sepsis, and 14 (10.3%) had other non-gastrointestinal tract infections. For severe NEC, suspected NEC, and no NEC samples, median (IQR) fecal IAP content, relative to the amount of IAP in human small intestinal lysate, was 99.0% (51.0%-187.8%) (95% CI, 54.0%-163.0%), 123.0% (31.0%-224.0%) (95% CI, 31.0%-224.0%), and 4.8% (2.4%-9.8%) (95% CI, 3.4%-5.9%), respectively. For severe NEC, suspected NEC, and no NEC samples, median (IQR) enzyme activity was 183 (56-507) μmol/min/g (95% CI, 63-478 μmol/min/g) of stool protein, 355 (172-608) μmol/min/g (95% CI, 172-608 μmol/min/g) of stool protein, and 613 (210-1465) μmol/min/g (95% CI, 386-723 μmol/min/g) of stool protein, respectively. Mean (SE) area under the receiver operating characteristic curve values for IAP content measurements were 0.97 (0.02) (95% CI, 0.93-1.00; P \u3c .001) at time of severe NEC, 0.97 (0.02) (95% CI, 0.93-1.00; P \u3c .001) at time of suspected NEC, 0.52 (0.07) (95% CI, 0.38-0.66; P = .75) at time of sepsis, and 0.58 (0.08) (95% CI, 0.42-0.75; P = .06) at time of other non-gastrointestinal tract infections. Mean (SE) area under the receiver operating characteristic curve values for IAP activity were 0.76 (0.06) (95% CI, 0.64-0.86; P \u3c .001), 0.62 (0.07) (95% CI, 0.48-0.77; P = .13), 0.52 (0.07) (95% CI, 0.39-0.67; P = .68), and 0.57 (0.08) (95% CI, 0.39-0.69; P = .66), respectively. Conclusions and Relevance: In this diagnostic study, high amounts of IAP protein in stool and low IAP enzyme activity were associated with diagnosis of NEC and may serve as useful biomarkers for NEC. Our findings indicated that IAP biochemistry was uniquely able to distinguish NEC from sepsis

Linear Insertion Deletion Codes in the High-Noise and High-Rate Regimes

This work continues the study of linear error correcting codes against adversarial insertion deletion errors (insdel errors). Previously, the work of Cheng, Guruswami, Haeupler, and Li [Kuan Cheng et al., 2021] showed the existence of asymptotically good linear insdel codes that can correct arbitrarily close to 1 fraction of errors over some constant size alphabet, or achieve rate arbitrarily close to 1/2 even over the binary alphabet. As shown in [Kuan Cheng et al., 2021], these bounds are also the best possible. However, known explicit constructions in [Kuan Cheng et al., 2021], and subsequent improved constructions by Con, Shpilka, and Tamo [Con et al., 2022] all fall short of meeting these bounds. Over any constant size alphabet, they can only achieve rate < 1/8 or correct < 1/4 fraction of errors; over the binary alphabet, they can only achieve rate < 1/1216 or correct < 1/54 fraction of errors. Apparently, previous techniques face inherent barriers to achieve rate better than 1/4 or correct more than 1/2 fraction of errors. In this work we give new constructions of such codes that meet these bounds, namely, asymptotically good linear insdel codes that can correct arbitrarily close to 1 fraction of errors over some constant size alphabet, and binary asymptotically good linear insdel codes that can achieve rate arbitrarily close to 1/2. All our constructions are efficiently encodable and decodable. Our constructions are based on a novel approach of code concatenation, which embeds the index information implicitly into codewords. This significantly differs from previous techniques and may be of independent interest. Finally, we also prove the existence of linear concatenated insdel codes with parameters that match random linear codes, and propose a conjecture about linear insdel codes

The Dilemma of Fair Use of Artificial Intelligence Painting and Its Regulations

At present, artificial intelligence painting technology is in an era of prosperity and development. The “transformation” of artificial intelligence painting works has brought challenges to the traditional fair use system, and characterization as fair use may lead to an imbalance of interests. It is necessary to re-examine the rationality of qualifying the use of artificial intelligence paintings as fair use. At the same time, analyze the infringement risk in the painting process in combination with the painting principles of artificial intelligence, and put forward some regulatory suggestions

Synthesis of Organic Dye-Impregnated Silica Shell-Coated Iron Oxide Nanoparticles by a New Method

A new method for preparing magnetic iron oxide nanoparticles coated by organic dye-doped silica shell was developed in this article. Iron oxide nanoparticles were first coated with dye-impregnated silica shell by the hydrolysis of hexadecyltrimethoxysilane (HTMOS) which produced a hydrophobic core for the entrapment of organic dye molecules. Then, the particles were coated with a hydrophilic shell by the hydrolysis of tetraethylorthosilicate (TEOS), which enabled water dispersal of the resulting nanoparticles. The final product was characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, photoluminescence spectroscopy, and vibration sample magnetometer. All the characterization results proved the final samples possessed magnetic and fluorescent properties simultaneously. And this new multifunctional nanomaterial possessed high photostability and minimal dye leakage