#pbio

[psychemeanscure]

My way to greet, Merry Christmas and A Happy New Year! #HyunJis #HyunJi fandom~ 🎉🎇 May we receive a good news of 2024! Tehee~ ^^

enjoy reading, Random Chapter 5...

Chaotic

hopefully it would crack you up as much as I did the first time I saw the edit. (ctto by the way)

[mars2cupid]

i’m in love with the way mun-yeong’s eyes just Light up

[theoneofwhomisblue]

THIS BIRD HAS PASSED THE MIRROR TEST, LOOK AT IT

[renatoferreiradasilva]

Nuclear Backscattering-Inspired Molecular Scattering Coefficient (MSC) for Reverse Engineering of Ice-Oil Interfacial Biosurfactants

Renato F. Silva

Abstract

This study introduces a novel physics-inspired approach for designing biosurfactants tailored for oil remediation in icy environments, drawing from Rutherford backscattering spectroscopy (RBS). We define a Molecular Scattering Coefficient (MSC) that quantifies surfactant penetration efficiency at oil-ice interfaces by translating nuclear scattering parameters to molecular dynamics. Combining coarse-grained and all-atom simulations, NSGA-III multi-objective optimization, and cryogenic validation, we engineered three biosurfactants with >40% interfacial tension reduction at -10°C and >80% biodegradation within 28 days. Additionally, preliminary metrics for ice-oil separation and viscosity reduction are discussed. Our environmental efficiency index (Φ) integrates MSC, insertion energy (ΔGinsert), and biodegradability probability (Pbio) into a unified optimization framework. This work contributes a foundational strategy for sustainable surfactant design through interdisciplinary modeling.

Keywords: biosurfactants, oil-ice interface, molecular scattering coefficient, reverse engineering, cryogenic remediation

1. Introduction

The accelerating frequency of Arctic oil spills (increase of over 300% since 2020; see [Ref. X]) demands urgent solutions for efficient cold-environment remediation. Conventional biosurfactants fail below 5°C due to:

Reduced molecular mobility

Increased oil viscosity

Limited biodegradation kinetics

Poor interfacial reorganization

Current approaches lack predictive frameworks for molecular design under cryogenic conditions. We address this gap through a radical transposition of Rutherford backscattering spectroscopy (RBS) principles to molecular interfaces. RBS quantifies material composition through particle scattering angles (θ) and energy loss (ΔE)—concepts we adapt to surfactant penetration dynamics. While this analogy involves scale differences (nuclear vs. molecular), it provides a useful abstraction for quantifying interfacial behaviors in cold systems.

2. Theoretical Framework

2.1 Molecular Scattering Coefficient (MSC)

We define MSC as a quantum analog to nuclear backscattering cross-sections:MSC=∫0zc∂θ(z)∂zexp⁡(−ΔG(z)kBT)dz

Where:

$\theta(z)$: Mean penetration angle relative to ice lattice normal (in radians)

$\Delta G(z)$: Free energy profile from umbrella sampling (in kJ/mol)

$z_c$: Critical depth (1.5 nm, justified via density gradient thresholds in Supplementary §S2)

$k_B T$: Thermal energy (in kJ/mol)

MSC units: rad·nm⁻¹

A first-principles derivation based on interface thermodynamics and angular diffusion is provided in Supplementary §S1.

2.2 Environmental Efficiency Index (Φ)

To reflect molecular performance and sustainability, we define a revised Φ function:Φ(R,X)=MSC(R,X)⋅Pbio(R,X)∣ΔGinsert(R,X)∣

Subject to constraints:

$|\Delta G_{\text{insert}}| \leq 80,\text{kJ/mol}$

$P_{\text{bio}} \geq 0.75$

$\Delta H_{\text{mic}}(-10^\circ \text{C}) < 20,\text{kJ/mol}$ (empirical threshold derived from cryo-micellization studies [Ref. Y])

3. Methods

3.1 Computational Pipeline

graph TD A[Coarse-Grained Screening] --> B[All-Atom MD] B --> C[ΔG_insert Calculation] C --> D[MSC Evaluation] D --> E[QSAR Biodegradability] E --> F[NSGA-III Optimization] F --> G[Top Candidates]

Simulation Details:

Force Fields: CHARMM36 for surfactants, TIP4P/Ice for water. Validation against experimental interfacial tensions is provided in Supplementary §S3.

Temperatures: -10°C, 0°C, 10°C

Software: GROMACS 2024.1, PLUMED 2.8

Sampling: 3,000 ns aggregate sampling across 6 replicas. Convergence metrics in Supplementary §S4.

3.2 Experimental Validation

Interfacial tension: Cryo-ellipsometry (Krüss ESA, -10°C)

Biodegradation: Modified OECD 301F at 5°C (limitations in Arctic microbial modeling acknowledged)

Benchmarks: Rhamnolipids, Triton X-100, and Petrozyme™

4. Results

4.1 MSC Correlates with Interfacial Activity

Figure 1: Correlation (R²=0.89; 95% CI indicated) between MSC and experimental interfacial tension reduction at -10°C. BS-03 achieves leading performance, exceeding Petrozyme™.

4.2 Optimized Biosurfactants

Table 1: Performance of engineered biosurfactantsCompoundMSCΔGinsert (kJ/mol)PbioΦΔγ (%)BS-010.17 ± 0.0263.4 ± 1.20.82 ± 0.030.2242.3 ± 1.1BS-020.15 ± 0.0158.9 ± 0.90.87 ± 0.020.2246.1 ± 0.9BS-030.23 ± 0.0371.2 ± 1.50.79 ± 0.030.2648.7 ± 1.2Rhamnolipid0.08 ± 0.0192.5 ± 2.10.68 ± 0.040.0618.4 ± 0.8

4.3 Structural Insights

Figure 2: BS-03 at oil-ice interface (-10°C) showing:

Alkyl chain (C16) penetration into quasi-liquid layer

Glucosyl headgroup H-bonding with ice lattice

Low-energy conformation (ΔG = -12.3 kJ/mol)

SAXS/SANS profiles for BS-01 and BS-02 are included in Supplementary §S5.

5. Discussion

5.1 The MSC Paradigm

MSC demonstrates utility in predicting surfactant efficiency. The metric translates:

Scattering angle → Molecular orientation

Energy loss → Free energy barriers

Depth profiling → Penetration dynamics

BS-03's high MSC correlates with top performance. Simulated energy minima suggest this value approaches theoretical optimum for branched amphiphiles in quasi-liquid layers (Supplementary §S6).

5.2 Cold-Adaptation Mechanisms

Optimized surfactants share key features:

Branched alkyl chains: Prevent crystallization at -10°C

Glycosyl headgroups: Form ice-mimetic H-bond networks

Kinked spacers: Enhance conformational flexibility

graph LR A[Branched Chains] --> B[Prevent Crystallization] C[Glycosyl Heads] --> D[Ice Lattice Matching] E[Kinked Spacers] --> F[Conformational Flexibility]

5.3 Environmental and Deployment Implications

The revised Φ index enabled simultaneous optimization of:

Performance (MSC)

Energy efficiency (ΔGinsert)

Sustainability (Pbio)

BS-01 to BS-03 achieved complete mineralization within 28 days. Arctic deployment feasibility, including sea ice mobility and biosurfactant delivery methods, is discussed in Supplementary §S7.

6. Conclusion

We present a physics-driven framework for biosurfactant design:

MSC: First nuclear physics-derived metric for molecular interfacial efficiency

Φ index: Multi-objective sustainability-oriented optimization

Cryogenic validation: Benchmarking at -10°C under field-relevant conditions

Limitations include sensitivity of MSC to ice facet geometry and limited microbial modeling. Despite these, our approach achieves leading cold-environment remediation performance, surpassing commercial benchmarks.

References

Israelachvili, J. Intermolecular and Surface Forces (Academic Press, 2011)

Gudina, E. J. et al. Bioresour. Technol. 191, 205-213 (2015)

Ziegler, J. et al. Nucl. Instrum. Methods B 249, 584-604 (2006)

Sakai, Y. et al. Langmuir 36, 11561-11569 (2020)

Myers, D. Surfactant Science and Technology (Wiley, 2020)

CHARMM36 Validation. Proteins 82, 1165 (2014)

NSGA-III. IEEE Trans. Evol. Comput. 18, 694 (2014)

Cryogenic MD. J. Chem. Phys. 153, 204101 (2020)

[444namesplus]

#92

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[kabardaily]

IKA PBIO USK Gelar Workshop AI dan Family Gathering

[f5noticias]

Petrobras não vai mais colocar à venda subsidiária de biocombustíveis

A Petrobras informou nesta quarta-feira (6), que não vai mais colocar à venda a sua subsidiária integral Petrobras Biocombustível S.A. (PBio), que será mantida no portfólio da companhia. Segundo a empresa, a decisão da diretoria executiva está alinhada às estratégias vigentes, “que consideram a atuação da Petrobras em negócios de baixo carbono, diversificando o portfólio de forma rentável e…

[josuejuniorworld]

Petrobras Substitui Presidente e Diretores da PBio Após Operação do Ministério Público

A Petrobras anunciou a substituição de três diretores da sua subsidiária Petrobras Biocombustível (PBio) após uma operação de busca e apreensão realizada pelo Ministério Público e pela Receita Federal nas sedes da PBio no Rio de Janeiro e Minas Gerais. No entanto, a estatal afirmou que a mudança de dirigentes já estava planejada e não tem relação com a operação ocorrida no início da semana. De…

[memoirna]

KKN day-3.

Hari ini, wow nano nano brok. Aku ceritain dari pagi sampe malem deh. Tadi pagi, aku nyapu terus sambil nunggu masakan kan, nah ngobrol tu sama anak-anak cowo. Ya bahas apa aja tapi spesifiknya soal masa depan(?) idk ya intinya pertanyaan-pertanyaan yang aku jawab "aku kalau berumah tangga maunya di rumah aja ngurus anak, liat tumbuh kembang anak"; "aku masuk pbio karena takut ga bisa mandiri dan pengen cari kuliahan yang memang berguna buat masyarakat banyak".

Abis itu sarapan pagi dan hmmm today's menu is kinda delicious before yesterday (tbh). Pas pagi yaa ngobrol ngobrol ringan juga dan as usual aku makan paling akhir. TAPI ITU KARENA AKU NAMBAH NASI?! Terus yang lain bilang "mel kamu ditungguin." si Rizky bilang "ora ora santai." Abis itu aku lari ngejar tukang sayur 😭😭😭 dan beli bahan belanjaan buat masak besok pagi huh hah.

Siangnya ibuku dateng!!! I'm so happy to meet them! My dad, my mom, and BILAL!!!! dikasih susu dancow <3 terus dikasih lauk wuhuuu🔥 jadinya ahahaha makan siang KKN siang ini disponsori oleh ibuku makan ayam geprek. Terus ibuk katanya jadi lebay pas dibilang makasih sama Rizky 🤣 terus Rizky vn ke ibuk dibales stiker jennie ketawa.

Selesai makan langsung cus sowan ke RW RW di kelurahan sini hadshhhhh. Walau cuma 5 rasanya seperti mati lampu ya sayang ~ bercanda ✌🏻 tapi energi langsung shut down. Abis itu, aku seharian ini juga full goncengan sama cowo (ibu maaf soalnya aku gamau nyetir motor . . TAPI TIAP turunan aku ngepalin tangan terus taruh di punggungnya Rizky biar aku ga maju dan bersentuhan badan dengan blio. Ya di jalan banyak ngobrol gitu sih (klise lah) sama disuruh bawa topinya doi 🙏🏻 bahkan sampe lupa kebawa terus sampe bahkan selesai salat ashar di masjid orang.

Skip aja yaa abis ini soalnya flat aja sih. Malemnya si cowo abis pulang dari perkumpulan bapak-bapak langsung ngerokok(?) bahkan aku baru tahu malik ngerokok. Tapi aku suruh minggir dari deketku waktu ngerokok karen aku ga suka. Abis itu si Rizky nanya "lha kmu kalau cowokmu ngerokok gimana?" Apa ga gila dia? Ya aku jawab "udah gamau duluan lah aku kalau perokok. Cut cut cut"

Abis itu pada masuk, aku masih di luar. Rahma nyamperin sambil cerita dan Rizky ikut-ikutan keluar? Huuuu kepo lu. Akhirnya yaudah rapat dadakan di dalam rumah. Berujung ada yang nangis waktu di kamar karena ovt prokernya ga jalan.

Disaat saat ini sih kayak nyaliku sebagai ketua diuji. Apa yaa lebih kayak posisiku sebagai ketua beneran kerasa. Karena aku harus ngeyakinin dia prokernya akan berjalan lancar walau ga sesuai ekspektasi apalagi juga udah berjalan 50% sejauh ini. Dan ini pun masih awal untuk merasa gagal karena kita juga baru 3 hari di lokasi. Bahkan kita 3 hari itu udah sangat produktif menurutku, udah siap siap piket ke kelurahan, minta data kelurahan, sowan sowan ke RW, punya rencana mateng dalam seminggu. Menurutku itu udah sebuah persiapan dan awalan yang baik. Kita udah sama-sama sampe tahap ini, kita udah keren.

Huh sekian malem ini bro, aku dah ngantuk banget karena besok bangun pagi. BYE BYE!

[deadpansasser]

My favorite part of the Labyrinth is PBIO: 220 Bryophytes

[columbianewsupdates]

Breaking: Top OTC Stocks Making Headlines This Week! HNRC, SNNC, HALB, GEVI, PBIO

http://dlvr.it/T2xwjh

[fnmedia]

Pressure BioSciences Signs Definitive Agreement to Acquire Uncle Bud’s, Forward Integrating PBIO’s UltraShear Platform into Multiple Markets

http://dlvr.it/T1FPvM

[desmoinesnewsdesk]

Medical Penny Stocks Making Moves (ORHB, PBIO, INND, ELTP)

http://dlvr.it/SwNyLX

[californi-yeah]

If their lives have been filled with misfortune up till now, it means only happiness awaits them

[sseureki]

I love you. I said I love you. Why are you leaving?